4-chloro-2-(2-imino-6-phenyl-5,6-dihydro-1H-pyrimidin-4-yl)phenol
Basic information
- CAS
226904-48-9- Standard SMILES
NC1=NC(c2ccccc2)CC(c2cc(Cl)ccc2O)=N1- InChIKey
MTSFRTBCIQTEBZ-UHFFFAOYSA-N- Molecular formula
- C16H14ClN3O
- Average molar mass
- 299.75 g/mol
- Monoisotopic mass
- 299.0825398
Names & identifiers
- Preferred name
- 4-chloro-2-(2-imino-6-phenyl-5,6-dihydro-1H-pyrimidin-4-yl)phenol
- IUPAC
- 2-(2-amino-4-phenyl-4,5-dihydropyrimidin-6-yl)-4-chlorophenol
Names & synonyms
NSC621451CHEMBL2005438DTXSID5011833914-chloro-2-(2-imino-6-phenyl-5,6-dihydro-1H-pyrimidin-4-yl)phenolNSC-621451226904-48-9NCI60_0062712-(2-Amino-5,6-dihydro-6-phenyl-4-pyrimidinyl)-4-chlorophenol2-(2-Amino-6-phenyl-5,6-dihydropyrimidin-4-yl)-4-chlorophenol4-Chloro-2-(2-imino-6-phenyl-1,2,5,6-tetrahydro-4-pyrimidinyl)phenol
Database identifiers
- CAS
226904-48-9- PubChem CID
- 359841
- DTXSID
DTXSID501183391- ChEMBL
CHEMBL2005438
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 71 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 431
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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