N-(2-dimethylaminoethyl)-6-methyl-4-(3-nitrophenyl)-2-phenyl-5-pyrimidinecarboxamide fumarate
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
Cc1nc(-c2ccccc2)nc(-c2cccc([N+](=O)[O-])c2)c1C(=O)NCCN(C)C.O=C(O)/C=C/C(=O)O- InChIKey
YYYIJTIQGKAAHN-WLHGVMLRSA-N- Molecular formula
- C26H27N5O7
- Average molar mass
- 521.5 g/mol
Names & identifiers
- Preferred name
- N-(2-dimethylaminoethyl)-6-methyl-4-(3-nitrophenyl)-2-phenyl-5-pyrimidinecarboxamide fumarate
- IUPAC
- (E)-but-2-enedioic acid;N-[2-(dimethylamino)ethyl]-4-methyl-6-(3-nitrophenyl)-2-phenylpyrimidine-5-carboxamide
Names & synonyms
SCHEMBL10375257YYYIJTIQGKAAHN-WLHGVMLRSA-NN-(2-dimethylaminoethyl)-6-methyl-4-(3-nitrophenyl)-2-phenyl-5-pyrimidinecarboxamide fumarate
Database identifiers
- PubChem CID
- 20183348
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 695
Related reactions
1 records
Compound notes
Loading…