5-cyclopentyl-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one

C24H25FN2O2 — CID 135712788

IUPAC5-cyclopentyl-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one
SMILESCc1nc(-c2cccc(F)c2O)n(CCc2ccccc2)c(=O)c1C1CCCC1
InChIInChI=1S/C24H25FN2O2/c1-16-21(18-10-5-6-11-18)24(29)27(15-14-17-8-3-2-4-9-17)23(26-16)19-12-7-13-20(25)22(19)28/h2-4,7-9,12-13,18,28H,5-6,10-11,14-15H2,1H3
InChIKeyLLPWLSLAGHCZAA-UHFFFAOYSA-N
MW392.47 g/mol
LogP4.96
Rot. Bonds5

About 5-cyclopentyl-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one

5-cyclopentyl-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one (PubChem CID 135712788) has the molecular formula C24H25FN2O2 and a molecular weight of 392.47 g/mol. Its IUPAC name is 5-cyclopentyl-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-cyclopentyl-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one
PubChem CID135712788
Molecular FormulaC24H25FN2O2
Molecular Weight392.47 g/mol
Exact Mass392.19
IUPAC Name5-cyclopentyl-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one
SMILESCc1nc(-c2cccc(F)c2O)n(CCc2ccccc2)c(=O)c1C1CCCC1
InChIInChI=1S/C24H25FN2O2/c1-16-21(18-10-5-6-11-18)24(29)27(15-14-17-8-3-2-4-9-17)23(26-16)19-12-7-13-20(25)22(19)28/h2-4,7-9,12-13,18,28H,5-6,10-11,14-15H2,1H3
InChIKeyLLPWLSLAGHCZAA-UHFFFAOYSA-N
XLogP4.96
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-cyclopentyl-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-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-methyl-3-phenethyl-3H-pyrimidin-4-one
CID 135515453
5-benzyl-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4(3H)-one
CID 136334632
2-(2-Hydroxy-phenyl)-5,6-dimethyl-3-phenethyl-3H-pyrimidin-4-one
CID 135422953
3-[2-(3-Fluoro-phenyl)-ethyl]-2-(2-hydroxy-phenyl)-6-methyl-5-propyl-3H-pyrimidin-4-one
CID 135423282
3-[2-(3-Fluoro-phenyl)-ethyl]-2-(2-hydroxy-phenyl)-5-isopropyl-6-methyl-3H-pyrimidin-4-one
CID 135430131
5-Ethyl-2-(2-hydroxy-phenyl)-6-methyl-3-phenethyl-3H-pyrimidin-4-one
CID 135454814
5-Cyclopropyl-3-[2-(3-fluoro-phenyl)-ethyl]-2-(2-hydroxy-phenyl)-6-methyl-3H-pyrimidin-4-one
CID 135508434
2-(3-Fluoro-2-hydroxyphenyl)-6-methyl-5-(5-methyl-2-thienyl)-3-(2-phenylethyl)-4(3H)-pyrimidinone
CID 135513459
2-(2-Hydroxy-phenyl)-5-methyl-3-phenethyl-6-trifluoromethyl-3H-pyrimidin-4-one
CID 135537654
3-[2-(3-Fluoro-phenyl)-ethyl]-2-(2-hydroxy-phenyl)-5,6-dimethyl-3H-pyrimidin-4-one
CID 135540474
2-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135442372
2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidin-4-one
CID 135964370

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one?
The IUPAC name of 5-cyclopentyl-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one (CID 135712788) is 5-cyclopentyl-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one.
What is the SMILES notation for 5-cyclopentyl-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one?
The canonical SMILES for 5-cyclopentyl-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one is Cc1nc(-c2cccc(F)c2O)n(CCc2ccccc2)c(=O)c1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one?
The InChIKey is LLPWLSLAGHCZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2/c1-16-21(18-10-5-6-11-18)24(29)27(15-14-17-8-3-2-4-9-17)23(26-16)19-12-7-13-20(25)22(19)28/h2-4,7-9,12-13,18,28H,5-6,10-11,14-15H2,1H3.
What are the key properties of 5-cyclopentyl-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one?
5-cyclopentyl-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one has a molecular weight of 392.47 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one is sourced from PubChem (CID 135712788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).