5-(4-fluorophenyl)-4-hydroxy-2-(3-methylcyclopentyl)-1H-pyrimidin-6-one

C16H17FN2O2 — CID 79430728

IUPAC5-(4-fluorophenyl)-4-hydroxy-2-(3-methylcyclopentyl)-1H-pyrimidin-6-one
SMILESCC1CCC(c2nc(O)c(-c3ccc(F)cc3)c(=O)[nH]2)C1
InChIInChI=1S/C16H17FN2O2/c1-9-2-3-11(8-9)14-18-15(20)13(16(21)19-14)10-4-6-12(17)7-5-10/h4-7,9,11H,2-3,8H2,1H3,(H2,18,19,20,21)
InChIKeyNSDZUVMYCXJWBR-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.19
Rot. Bonds2

About 5-(4-fluorophenyl)-4-hydroxy-2-(3-methylcyclopentyl)-1H-pyrimidin-6-one

5-(4-fluorophenyl)-4-hydroxy-2-(3-methylcyclopentyl)-1H-pyrimidin-6-one (PubChem CID 79430728) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-hydroxy-2-(3-methylcyclopentyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-hydroxy-2-(3-methylcyclopentyl)-1H-pyrimidin-6-one
PubChem CID79430728
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name5-(4-fluorophenyl)-4-hydroxy-2-(3-methylcyclopentyl)-1H-pyrimidin-6-one
SMILESCC1CCC(c2nc(O)c(-c3ccc(F)cc3)c(=O)[nH]2)C1
InChIInChI=1S/C16H17FN2O2/c1-9-2-3-11(8-9)14-18-15(20)13(16(21)19-14)10-4-6-12(17)7-5-10/h4-7,9,11H,2-3,8H2,1H3,(H2,18,19,20,21)
InChIKeyNSDZUVMYCXJWBR-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-hydroxy-2-(3-methylcyclopentyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(4-fluorophenyl)-4-hydroxy-2-(3-methylcyclopentyl)-1H-pyrimidin-6-one (CID 79430728) is 5-(4-fluorophenyl)-4-hydroxy-2-(3-methylcyclopentyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(4-fluorophenyl)-4-hydroxy-2-(3-methylcyclopentyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(4-fluorophenyl)-4-hydroxy-2-(3-methylcyclopentyl)-1H-pyrimidin-6-one is CC1CCC(c2nc(O)c(-c3ccc(F)cc3)c(=O)[nH]2)C1.
What is the InChIKey of 5-(4-fluorophenyl)-4-hydroxy-2-(3-methylcyclopentyl)-1H-pyrimidin-6-one?
The InChIKey is NSDZUVMYCXJWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-9-2-3-11(8-9)14-18-15(20)13(16(21)19-14)10-4-6-12(17)7-5-10/h4-7,9,11H,2-3,8H2,1H3,(H2,18,19,20,21).
What are the key properties of 5-(4-fluorophenyl)-4-hydroxy-2-(3-methylcyclopentyl)-1H-pyrimidin-6-one?
5-(4-fluorophenyl)-4-hydroxy-2-(3-methylcyclopentyl)-1H-pyrimidin-6-one has a molecular weight of 288.32 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-hydroxy-2-(3-methylcyclopentyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 79430728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).