Basic information
- Standard SMILES
Cc1nc(-c2ccccc2)nc(-c2cccc([N+](=O)[O-])c2)c1NC(=O)NCCN(C)C.Cl- InChIKey
MNVQYPJNJWRBEV-UHFFFAOYSA-N- Molecular formula
- C22H25ClN6O3
- Average molar mass
- 456.9 g/mol
- Monoisotopic mass
- 456.1676664
Names & identifiers
- Preferred name
- 5-[3-(2-Dimethylaminoethyl)ureido]-6-methyl-4-(3-nitrophenyl)-2-phenylpyrimidine hydrochloride
- IUPAC
- 1-[2-(dimethylamino)ethyl]-3-[4-methyl-6-(3-nitrophenyl)-2-phenylpyrimidin-5-yl]urea;hydrochloride
Names & synonyms
SCHEMBL10375342MNVQYPJNJWRBEV-UHFFFAOYSA-N5-[3-(2-dimethylaminoethyl)ureido]-6-methyl-4-(3-nitrophenyl)-2-phenylpyrimidine hydrochloride
Database identifiers
- PubChem CID
- 20183416
Properties
Computed structural properties
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 592
Related reactions
1 records
Compound notes
Loading…