| CAS Number | 1118787-02-2 |
| Catalog Number | AG018SEF(AGN-PC-0WBQDX) |
| Chemical Name | 2-(3-Aminophenyl)-6-ethyl-3,4-dihydropyrimidin-4-one |
| IUPAC Name | 2-(3-aminophenyl)-4-ethyl-1H-pyrimidin-6-one |
| InChI | InChI=1S/C12H13N3O/c1-2-10-7-11(16)15-12(14-10)8-4-3-5-9(13)6-8/h3-7H,2,13H2,1H3,(H,14,15,16) |
| InChI Key | VCGIACRJQWYQEY-UHFFFAOYSA-N |
| MDL Number | MFCD11840130 |
| Molecular Formula | C12H13N3O |
| Molecular Weight | 215.2511 |
| SMILES | CCC1N=C(C2=CC(N)=CC=C2)NC(=O)C=1 |
| Synonyms | 2-(3-aminophenyl)-6-ethyl-3,4-dihydropyrimidin-4-one,
1118787-02-2,
2-(3-aminophenyl)-6-ethyl-3H-pyrimidin-4-one,
AC1Q2T83,
CTK6D0898,
CTK8F3554,
ZINC32628252,
AKOS009529030,
MCULE-6116704481,
NE25096,
EN300-42063,
F8889-9249,
Z426041452,
|
| Complexity | 346 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.256g/mol |
| Monoisotopic Mass | 215.106g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number