2-Amino-5-methyl-4-pyrimidinol - CAS 15981-91-6
Catalog: |
BB076881 |
Product Name: |
2-Amino-5-methyl-4-pyrimidinol |
CAS: |
15981-91-6 |
Synonyms: |
5-Methylisocytosine; 2-Amino-5-methylpyrimidin-4(3H)-one; 2-Amino-5-methylpyrimidin-4-ol; 4(1H)-Pyrimidinone, 2-amino-5-methyl-; NSC-60208; 2-Amino-5-methyl-4(3H)-pyrimidinone; 2-Amino-5-methylpyrimidin-4-one |
IUPAC Name: | 2-amino-5-methyl-1H-pyrimidin-6-one |
Molecular Weight: | 125.13 |
Molecular Formula: | C5H7N3O |
Canonical SMILES: | CC1=CN=C(NC1=O)N |
InChI: | InChI=1S/C5H7N3O/c1-3-2-7-5(6)8-4(3)9/h2H,1H3,(H3,6,7,8,9) |
InChI Key: | YKUFMYSNUQLIQS-UHFFFAOYSA-N |
Melting Point: | 277-279°C |
Purity: | ≥95% |
Density: | 1.44±0.1 g/cm3 (Predicted) |
Appearance: | Solid |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 204 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 125.058911855 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 125.058911855 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 67.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.9 |
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