| CAS Number | 79871-76-4 |
| Catalog Number | AG01675X(AGN-PC-0WBQ8V) |
| Chemical Name | 2-(5-Amino-3-methyl-1H-pyrazol-1-yl)-6-methyl-4(3H)-pyrimidinone |
| IUPAC Name | 2-(5-amino-3-methylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one |
| InChI | InChI=1S/C9H11N5O/c1-5-4-8(15)12-9(11-5)14-7(10)3-6(2)13-14/h3-4H,10H2,1-2H3,(H,11,12,15) |
| InChI Key | JFLSJNRYOJXQKN-UHFFFAOYSA-N |
| MDL Number | MFCD11108812 |
| Molecular Formula | C9H11N5O |
| Molecular Weight | 205.2165 |
| SMILES | O=C(C=C(C)N2)N=C2N1N=C(C)C=C1N |
| Synonyms | 79871-76-4,
2-(5-Amino-3-methyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4(3H)-one,
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-6-methyl-3,4-dihydropyrimidin-4-one,
SCHEMBL13740246,
SBB076513,
ZINC22699180,
AKOS005136076,
MCULE-2896418616,
L-3816,
F2161-0006,
2-(5-amino-3-methylpyrazolyl)-6-methyl-3-hydropyrimidin-4-one,
2-(5-Amino-3-methyl-pyrazol-1-yl)-6-methyl-3H-pyrimidin-4-one,
2-(5-amino-3-methylpyrazol-1-yl)-6-methyl-3H-pyrimidin-4-one,
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| Complexity | 348 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.221g/mol |
| Monoisotopic Mass | 205.096g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 85.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
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