5-cyclopentyl-2-(4-fluoro-2-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one

C16H17FN2O2 — CID 115926343

IUPAC5-cyclopentyl-2-(4-fluoro-2-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCc1cc(F)ccc1-c1nc(O)c(C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C16H17FN2O2/c1-9-8-11(17)6-7-12(9)14-18-15(20)13(16(21)19-14)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H2,18,19,20,21)
InChIKeyHIJALDPFWJFCHX-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.25
Rot. Bonds2

About 5-cyclopentyl-2-(4-fluoro-2-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one

5-cyclopentyl-2-(4-fluoro-2-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 115926343) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 5-cyclopentyl-2-(4-fluoro-2-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclopentyl-2-(4-fluoro-2-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID115926343
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name5-cyclopentyl-2-(4-fluoro-2-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCc1cc(F)ccc1-c1nc(O)c(C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C16H17FN2O2/c1-9-8-11(17)6-7-12(9)14-18-15(20)13(16(21)19-14)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H2,18,19,20,21)
InChIKeyHIJALDPFWJFCHX-UHFFFAOYSA-N
XLogP3.25
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-methylphenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
CID 103083561
5-cyclopentyl-2-(1,3-dimethylpyrazol-4-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 115926378
2-(3-chloro-4-fluorophenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
CID 115926288
2-(4-fluoro-2-methylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 136873120
5-cyclopentyl-4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 112569328
5-cyclopentyl-2-(3,4-dichlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 115926352
2-(3-chloro-4-hydroxyphenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
CID 136929316
5-bromo-4-cyclopentyl-2-(2,4-dimethylphenyl)-1H-pyrimidin-6-one
CID 136730055
5-cyclopentyl-4-hydroxy-2-(1,3-thiazol-4-yl)-1H-pyrimidin-6-one
CID 112569377
5-cyclopentyl-4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 115926310
5-cyclopentyl-4-hydroxy-2-(1-methylcyclopropyl)-1H-pyrimidin-6-one
CID 112569367
5-bromo-2-(4-bromo-2-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 103083543

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-2-(4-fluoro-2-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclopentyl-2-(4-fluoro-2-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one (CID 115926343) is 5-cyclopentyl-2-(4-fluoro-2-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclopentyl-2-(4-fluoro-2-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclopentyl-2-(4-fluoro-2-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one is Cc1cc(F)ccc1-c1nc(O)c(C2CCCC2)c(=O)[nH]1.
What is the InChIKey of 5-cyclopentyl-2-(4-fluoro-2-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is HIJALDPFWJFCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-9-8-11(17)6-7-12(9)14-18-15(20)13(16(21)19-14)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H2,18,19,20,21).
What are the key properties of 5-cyclopentyl-2-(4-fluoro-2-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one?
5-cyclopentyl-2-(4-fluoro-2-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 288.32 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-2-(4-fluoro-2-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 115926343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).