2-(4-chlorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one

C13H11ClN2O — CID 135975507

IUPAC2-(4-chlorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one
SMILESO=c1cc(C2CC2)nc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C13H11ClN2O/c14-10-5-3-9(4-6-10)13-15-11(8-1-2-8)7-12(17)16-13/h3-8H,1-2H2,(H,15,16,17)
InChIKeyVOZSZMVFXDJSOG-UHFFFAOYSA-N
MW246.70 g/mol
LogP2.97
Rot. Bonds2

About 2-(4-chlorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one

2-(4-chlorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 135975507) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one
PubChem CID135975507
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC Name2-(4-chlorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one
SMILESO=c1cc(C2CC2)nc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C13H11ClN2O/c14-10-5-3-9(4-6-10)13-15-11(8-1-2-8)7-12(17)16-13/h3-8H,1-2H2,(H,15,16,17)
InChIKeyVOZSZMVFXDJSOG-UHFFFAOYSA-N
XLogP2.97
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chloro-4-fluorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one
CID 135975531
4-cyclopropyl-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one
CID 135975410
2-(3-bromo-4-methylphenyl)-4-cyclopropyl-1H-pyrimidin-6-one
CID 136701864
4-cyclopropyl-2-(3,5-dimethylphenyl)-1H-pyrimidin-6-one
CID 135975393
4-cyclopentyl-2-[4-(dimethylamino)phenyl]-1H-pyrimidin-6-one
CID 136730004
2-(5-chlorothiophen-2-yl)-4-cyclopropyl-1H-pyrimidin-6-one
CID 135975405
4-cyclopentyl-2-(4-fluoro-3-methoxyphenyl)-1H-pyrimidin-6-one
CID 136889687
2-(4-bromo-3,5-dimethylphenyl)-4-cyclopropyl-1H-pyrimidin-6-one
CID 136986877
4-cyclopentyl-2-(3-cyclopropylphenyl)-1H-pyrimidin-6-one
CID 136730020
4-cyclopropyl-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 135975402
4-cyclopropyl-2-(2,4,5-trimethylphenyl)-1H-pyrimidin-6-one
CID 136774590
4-cyclopropyl-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one
CID 135975455

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-chlorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one (CID 135975507) is 2-(4-chlorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-chlorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-chlorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one is O=c1cc(C2CC2)nc(-c2ccc(Cl)cc2)[nH]1.
What is the InChIKey of 2-(4-chlorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is VOZSZMVFXDJSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O/c14-10-5-3-9(4-6-10)13-15-11(8-1-2-8)7-12(17)16-13/h3-8H,1-2H2,(H,15,16,17).
What are the key properties of 2-(4-chlorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one?
2-(4-chlorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 246.70 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135975507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).