4,5-Diamino-6-hydroxypyrimidine - CAS 1672-50-0
Catalog: |
BB012367 |
Product Name: |
4,5-Diamino-6-hydroxypyrimidine |
CAS: |
1672-50-0 |
Synonyms: |
4,5-diamino-1H-pyrimidin-6-one; 4,5-diamino-1H-pyrimidin-6-one |
IUPAC Name: | 4,5-diamino-1H-pyrimidin-6-one |
Description: | A key intermediate in production of HCV (Hepatitis C virus) antivirals. |
Molecular Weight: | 126.12 |
Molecular Formula: | C4H6N4O |
Canonical SMILES: | C1=NC(=C(C(=O)N1)N)N |
InChI: | InChI=1S/C4H6N4O/c5-2-3(6)7-1-8-4(2)9/h1H,5H2,(H3,6,7,8,9) |
InChI Key: | PWRHKLKFADDKHS-UHFFFAOYSA-N |
Boiling Point: | 221.5 °C at 760 mmHg |
Density: | 1.84 g/cm3 |
MDL: | MFCD00006114 |
LogP: | 0.09670 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020239999-A1 | SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE | 20190531 |
US-2021300918-A1 | SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE | 20190531 |
TW-202003734-A | Resin composition, laminate, semiconductor wafer with resin composition layer, mounting substrate for semiconductor with resin composition layer, and semiconductor device | 20180426 |
WO-2019208614-A1 | Resin composition, laminate, resin composition layer-attached semiconductor wafer, substrate for mounting resin composition layer-attached semiconductor, and semiconductor device | 20180426 |
CN-112004845-A | Resin composition, laminate, semiconductor wafer with resin composition layer, substrate for mounting semiconductor with resin composition layer, and semiconductor device | 20180426 |
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 |
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: | 4 |
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: | -1.7 |
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