4-cyclopentyl-2-[(2,4-difluorophenyl)methyl]-1H-pyrimidin-6-one

C16H16F2N2O — CID 136729559

IUPAC4-cyclopentyl-2-[(2,4-difluorophenyl)methyl]-1H-pyrimidin-6-one
SMILESO=c1cc(C2CCCC2)nc(Cc2ccc(F)cc2F)[nH]1
InChIInChI=1S/C16H16F2N2O/c17-12-6-5-11(13(18)8-12)7-15-19-14(9-16(21)20-15)10-3-1-2-4-10/h5-6,8-10H,1-4,7H2,(H,19,20,21)
InChIKeyMGDYXCBPGMHIML-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.30
Rot. Bonds3

About 4-cyclopentyl-2-[(2,4-difluorophenyl)methyl]-1H-pyrimidin-6-one

4-cyclopentyl-2-[(2,4-difluorophenyl)methyl]-1H-pyrimidin-6-one (PubChem CID 136729559) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 4-cyclopentyl-2-[(2,4-difluorophenyl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopentyl-2-[(2,4-difluorophenyl)methyl]-1H-pyrimidin-6-one
PubChem CID136729559
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name4-cyclopentyl-2-[(2,4-difluorophenyl)methyl]-1H-pyrimidin-6-one
SMILESO=c1cc(C2CCCC2)nc(Cc2ccc(F)cc2F)[nH]1
InChIInChI=1S/C16H16F2N2O/c17-12-6-5-11(13(18)8-12)7-15-19-14(9-16(21)20-15)10-3-1-2-4-10/h5-6,8-10H,1-4,7H2,(H,19,20,21)
InChIKeyMGDYXCBPGMHIML-UHFFFAOYSA-N
XLogP3.30
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclopentyl-2-[(2,4-dichlorophenyl)methyl]-1H-pyrimidin-6-one
CID 136729443
4-cyclopentyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 136729467
2-cyclobutyl-4-cyclopentyl-1H-pyrimidin-6-one
CID 136729492
4-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136765796
4-cyclopropyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 135975532
4-cyclopentyl-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135947962
4-cyclopentyl-2-(4-fluoro-3-methoxyphenyl)-1H-pyrimidin-6-one
CID 136889687
4-cyclopentyl-2-(4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
CID 136729426
2-[(4-tert-butylphenyl)methyl]-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one
CID 172817814
4-cyclopropyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 135975552
5-[(2,4-difluorophenyl)methyl]-6-(4-methylcyclohexyl)-2-sulfanylidene-1H-pyrimidin-4-one
CID 163462977
2-cyclopropyl-5-[(2,4-difluorophenyl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 172666283

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-[(2,4-difluorophenyl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopentyl-2-[(2,4-difluorophenyl)methyl]-1H-pyrimidin-6-one (CID 136729559) is 4-cyclopentyl-2-[(2,4-difluorophenyl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopentyl-2-[(2,4-difluorophenyl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopentyl-2-[(2,4-difluorophenyl)methyl]-1H-pyrimidin-6-one is O=c1cc(C2CCCC2)nc(Cc2ccc(F)cc2F)[nH]1.
What is the InChIKey of 4-cyclopentyl-2-[(2,4-difluorophenyl)methyl]-1H-pyrimidin-6-one?
The InChIKey is MGDYXCBPGMHIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c17-12-6-5-11(13(18)8-12)7-15-19-14(9-16(21)20-15)10-3-1-2-4-10/h5-6,8-10H,1-4,7H2,(H,19,20,21).
What are the key properties of 4-cyclopentyl-2-[(2,4-difluorophenyl)methyl]-1H-pyrimidin-6-one?
4-cyclopentyl-2-[(2,4-difluorophenyl)methyl]-1H-pyrimidin-6-one has a molecular weight of 290.31 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-[(2,4-difluorophenyl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136729559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).