6-amino-4-(benzylamino)-1H-pyrimidin-2-one
Basic information
- CAS
60722-60-3- Standard SMILES
Nc1cc(NCc2ccccc2)nc(=O)[nH]1- InChIKey
WTQKNMGGMLGUDP-UHFFFAOYSA-N- Molecular formula
- C11H12N4O
- Average molar mass
- 216.24 g/mol
- Monoisotopic mass
- 216.10111102
Names & identifiers
- Preferred name
- 6-amino-4-(benzylamino)-1H-pyrimidin-2-one
- IUPAC
- 6-amino-4-(benzylamino)-1H-pyrimidin-2-one
Names & synonyms
NSC21240760722-60-3CHEMBL3273669DTXSID80309624NSC-2124076-Amino-4-(benzylamino)pyrimidin-2(1H)-one
Database identifiers
- CAS
60722-60-3- PubChem CID
- 309946
- DTXSID
DTXSID80309624- ChEMBL
CHEMBL3273669
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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