Basic information
- CAS
23572-63-6- Standard SMILES
Nc1nc(=O)n(CCCOc2ccccc2)cc1-c1ccc(Cl)c(Cl)c1- InChIKey
UROXLBPXBLYAAS-UHFFFAOYSA-N- Molecular formula
- C19H17Cl2N3O2
- Average molar mass
- 390.3 g/mol
- Monoisotopic mass
- 389.0697822
Names & identifiers
- Preferred name
- 4-amino-5-(3,4-dichlorophenyl)-1-(3-phenoxypropyl)pyrimidin-2(1H)-one
- IUPAC
- 4-amino-5-(3,4-dichlorophenyl)-1-(3-phenoxypropyl)pyrimidin-2-one
Names & synonyms
NSC-21184423572-63-6NSC211844CHEMBL1164210DTXSID403093674-amino-5-(3,4-dichlorophenyl)-1-(3-phenoxypropyl)pyrimidin-2(1H)-one4-amino-5-(3,4-dichlorophenyl)-1-(3- phenoxypropyl)pyrimidin-2(1H)-one
Database identifiers
- CAS
23572-63-6- PubChem CID
- 309548
- DTXSID
DTXSID40309367- ChEMBL
CHEMBL1164210
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 561
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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