Basic information
- CAS
6939-52-2- Standard SMILES
Cc1ccc(Nc2cc(N)[nH]c(=O)n2)cc1- InChIKey
QHVASESOLHYAET-UHFFFAOYSA-N- Molecular formula
- C11H12N4O
- Average molar mass
- 216.24 g/mol
- Monoisotopic mass
- 216.10111102
Names & identifiers
- Preferred name
- 6-Amino-4-[(4-methylphenyl)amino]pyrimidin-2(1h)-one
- IUPAC
- 6-amino-4-(4-methylanilino)-1H-pyrimidin-2-one
Names & synonyms
6939-52-26-Amino-4-(p-tolylamino)pyrimidin-2(1H)-one6-amino-4-[(4-methylphenyl)amino]pyrimidin-2(1h)-oneNSC57057DTXSID80288642NSC-57057DS-0148466-Amino-4-(4-methylanilino)pyrimidin-2(1H)-one4-amino-6-[(4-methylphenyl)amino]-3H-pyrimidin-2-one
Database identifiers
- CAS
6939-52-2- PubChem CID
- 245282
- DTXSID
DTXSID80288642
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 340
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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