2,4-Diamino-6-hydroxypyrimidine - CAS 56-06-4
Catalog: |
BB029246 |
Product Name: |
2,4-Diamino-6-hydroxypyrimidine |
CAS: |
56-06-4 |
Synonyms: |
2,6-Diamino-4(1H)-pyrimidinone; 2,6-Diaminopyrimidin-4-one; 6-Aminoisocytosine; NSC 44914; NSC 680818; NSC 9302; 4(3H)-Pyrimidinone, 2,6-diamino-; 2,6-Diamino-4(3H)-pyrimidinone; 4(1H)-Pyrimidinone, 2,6-diamino-; 2,4-Diamino-6-pyrimidinone; 2,6-Diamino-1,4-dihydropyrimidin-4-one; 2,6-Diamino-1H-pyrimidin-4-one; 2,6-Diamino-3,4-dihydropyrimidin-4-one; 2,6-Diamino-3H-pyrimidin-4-one; 2,6-Diamino-4-pyrimidinol; 4-Hydroxypyrimidine-2,6-diamine; 6-Hydroxy-2,4-diaminopyrimidine; 6-Hydroxy-2,4-pyrimidinediamine |
Application: |
Enzyme Inhibitors |
Related CAS: | 40306-60-3 (Deleted CAS) 41982-31-4 (Deleted CAS) 863767-89-9 (Deleted CAS)
|
IUPAC Name: | 2,4-diamino-1H-pyrimidin-6-one |
Description: | 2,4-Diamino-6-hydroxypyrimidine has been found to be a GCH1 inhibitor and could suppress the activity of NO synthase through preventing the synthesis of BH4. |
Molecular Weight: | 126.12 |
Molecular Formula: | C4H6N4O |
Canonical SMILES: | C1=C(N=C(NC1=O)N)N |
InChI: | InChI=1S/C4H6N4O/c5-2-1-3(9)8-4(6)7-2/h1H,(H5,5,6,7,8,9) |
InChI Key: | SWELIMKTDYHAOY-UHFFFAOYSA-N |
Boiling Point: | 288.5±43.0°C at 760 mmHg |
Melting Point: | 286°C (dec.) |
Purity: | ≥95% |
Density: | 1.84±0.1 g/cm3 |
Solubility: | Soluble in DMSO (Slightly, Heated), Methanol (Slightly, Heated) |
Appearance: | Pale Yellow Solid |
Storage: | Store at -20°C |
MDL: | MFCD00149408 |
LogP: | 0.50900 |
GHS Hazard Statement: | H400 (94.68%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] |
Precautionary Statement: | P273, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113214166-A | Synthesis process, intermediate and pharmaceutical process of 2,4, 5-triamino-6-hydroxypyrimidine | 20210623 |
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CN-112986432-A | Detection method and application of 2, 4-diamino-6-chloropyrimidine related substance | 20210220 |
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CN-112646475-A | Preparation and application methods of flame-retardant wear-resistant low-VOC (volatile organic compound) polyurethane coating | 20201231 |
PMID | Publication Date | Title | Journal |
22989530 | 20121015 | Compound instability in dimethyl sulphoxide, case studies with 5-aminopyrimidines and the implications for compound storage and screening | Bioorganic & medicinal chemistry letters |
22810913 | 20120801 | Cocrystals of 5-fluorocytosine. I. Coformers with fixed hydrogen-bonding sites | Acta crystallographica. Section B, Structural science |
22810914 | 20120801 | Cocrystals of 5-fluorocytosine. II. Coformers with variable hydrogen-bonding sites | Acta crystallographica. Section B, Structural science |
21093076 | 20120405 | Fluvastatin upregulates endothelial nitric oxide synthase activity via enhancement of its phosphorylation and expression and via an increase in tetrahydrobiopterin in vascular endothelial cells | International journal of cardiology |
22690337 | 20120101 | Correlations between Endothelial Functions and ROS Detection in Diabetic Microvascular Wall: Early and Late Ascorbic Acid Supplementation | International journal of vascular medicine |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 126.05416083 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 126.05416083 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 93.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.8 |
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