| CAS Number | 1153999-07-5 |
| Catalog Number | AG01A7TK(AGN-PC-0WO89E) |
| Chemical Name | 6-Methyl-2-(pyrimidin-2-yl)-3,4-dihydropyrimidin-4-one |
| IUPAC Name | 4-methyl-2-pyrimidin-2-yl-1H-pyrimidin-6-one |
| InChI | InChI=1S/C9H8N4O/c1-6-5-7(14)13-9(12-6)8-10-3-2-4-11-8/h2-5H,1H3,(H,12,13,14) |
| InChI Key | DYAZURKURZQLDJ-UHFFFAOYSA-N |
| MDL Number | MFCD12093749 |
| Molecular Formula | C9H8N4O |
| Molecular Weight | 188.1860 |
| SMILES | CC1N=C(C2=NC=CC=N2)NC(=O)C=1 |
| Synonyms | 6-methyl-2-(pyrimidin-2-yl)-3,4-dihydropyrimidin-4-one,
1153999-07-5,
AC1Q2HCQ,
CTK6B4132,
ZINC37506424,
AKOS009823762,
MCULE-6636478509,
NE19757,
EN300-59769,
6-methyl-3,4-dihydro-[2,2'-bipyrimidine]-4-one,
Z1245633344,
|
| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.19g/mol |
| Monoisotopic Mass | 188.07g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number