| CAS Number | 68210-25-3 |
| Catalog Number | AG00FS7T(AGN-PC-0WO7T4) |
| Chemical Name | 2-(1-Methylethyl)-4(3H)-pyrimidinone |
| IUPAC Name | 2-propan-2-yl-1H-pyrimidin-6-one |
| InChI | InChI=1S/C7H10N2O/c1-5(2)7-8-4-3-6(10)9-7/h3-5H,1-2H3,(H,8,9,10) |
| InChI Key | JJFMDOVUGJNEAD-UHFFFAOYSA-N |
| MDL Number | MFCD11046847 |
| Molecular Formula | C7H10N2O |
| Molecular Weight | 138.1671 |
| SMILES | CC(C)C=1NC=CC(N1)=O |
| Synonyms | 2-(propan-2-yl)pyrimidin-4-ol,
68210-25-3,
2-Isopropylpyrimidin-4-ol,
4(1H)-Pyrimidinone, 2-(1-methylethyl)- (9CI),
SCHEMBL2625456,
SCHEMBL11929996,
ZINC2507593,
2-propan-2-yl-1H-pyrimidin-6-one,
MFCD11046847,
AKOS009845791,
AKOS015946959,
MCULE-3049462271,
NE33827,
4(1h)-pyrimidinone,2-(1-methylethyl)-,
CS-0035880,
EN300-70079,
Z1259335793,
4 -Pyrimidinone,2- -,
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| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 138.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 138.17g/mol |
| Monoisotopic Mass | 138.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number