| CAS Number | 1071381-42-4 |
| Catalog Number | AG01AQWB |
| Chemical Name | 2-(3-Benzyl-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid |
| IUPAC Name | 2-(3-benzyl-6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid |
| InChI | InChI=1S/C14H14N2O4/c1-9-11(7-12(17)18)13(19)16(14(20)15-9)8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,15,20)(H,17,18) |
| InChI Key | AGQSFVOGVCUDBP-UHFFFAOYSA-N |
| MDL Number | MFCD11695554 |
| Molecular Formula | C14H14N2O4 |
| Molecular Weight | 274.2720 |
| SMILES | CC1=C(CC(O)=O)C(=O)N(CC2=CC=CC=C2)C(=O)N1 |
| Synonyms | 1071381-42-4,
2-(3-benzyl-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid,
(3-benzyl-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid,
ZINC20156466,
AKOS002392132,
F2145-0445,
Z2049948430,
(1-benzyl-4-methyl-2,6-dioxo-3H-pyrimidin-5-yl)acetic acid,
2-(3-benzyl-6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid,
|
| Complexity | 464 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.276g/mol |
| Monoisotopic Mass | 274.095g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 86.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number