Basic information
- CAS
5785-16-0- Standard SMILES
O=c1nccc(NCc2ccccc2)[nH]1- InChIKey
LHOUXFCFCBCKPY-UHFFFAOYSA-N- Molecular formula
- C11H11N3O
- Average molar mass
- 201.22 g/mol
- Monoisotopic mass
- 201.09021198
Names & identifiers
- Preferred name
- 6-(benzylamino)-1H-pyrimidin-2-one
- IUPAC
- 6-(benzylamino)-1H-pyrimidin-2-one
Names & synonyms
5785-16-06-(benzylamino)-1H-pyrimidin-2-oneCHEMBL2063052NSC 210324NSC2103244-BenzylaminocytosineSCHEMBL2486834-(benzylamino)-2-pyrimidinol4-(benzylamino)-pyrimidin-2-olDTXSID60308877LHOUXFCFCBCKPY-UHFFFAOYSA-N4-Benzylamino-pyrimidin-2(1H)-one
Show more names
BDBM503894956-(Benzylamino)pyrimidin-2(1H)-oneAKOS015917094NSC-2103244-(Benzylamino)-2(1H)-pyrimidinone #DS-0032202(1H)-PYRIMIDINONE,6-[(PHENYLMETHYL)AMINO]-
Database identifiers
- CAS
5785-16-0- PubChem CID
- 308512
- DTXSID
DTXSID60308877- ChEMBL
CHEMBL2063052- Nikkaji
- J1.238.761J
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 53.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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