| CAS Number | 2417-17-6 |
| Catalog Number | AG00BL33(AGN-PC-0N2DTQ) |
| Chemical Name | 2-Amino-3-methyl-3,4-dihydropyrimidin-4-one |
| IUPAC Name | 2-amino-3-methylpyrimidin-4-one |
| InChI | InChI=1S/C5H7N3O/c1-8-4(9)2-3-7-5(8)6/h2-3H,1H3,(H2,6,7) |
| InChI Key | GFSXUEPGKWYEHW-UHFFFAOYSA-N |
| MDL Number | MFCD17167116 |
| Molecular Formula | C5H7N3O |
| Molecular Weight | 125.1286 |
| SMILES | CN1C(=O)C=CN=C1N |
| Synonyms | 2-amino-3-methyl-3,4-dihydropyrimidin-4-one,
2417-17-6,
3-Methylisocytosine,
AC1Q3XQ3,
SCHEMBL5041904,
ZINC13354590,
AKOS022719466,
MCULE-3426992585,
NE25836,
2-aMino-3-MethylpyriMidin-4(3H)-one,
EN300-63710,
Z1262327483,
2-amino-3-methyl-pyrimidin-4-one,
CID10313133,
4(3H)-Pyrimidinone, 2-amino-3-methyl-,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 125.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 125.131g/mol |
| Monoisotopic Mass | 125.059g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 58.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number