2-cyclopentyl-4-hydroxy-5-phenyl-1H-pyrimidin-6-one

C15H16N2O2 — CID 65429882

IUPAC2-cyclopentyl-4-hydroxy-5-phenyl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CCCC2)nc(O)c1-c1ccccc1
InChIInChI=1S/C15H16N2O2/c18-14-12(10-6-2-1-3-7-10)15(19)17-13(16-14)11-8-4-5-9-11/h1-3,6-7,11H,4-5,8-9H2,(H2,16,17,18,19)
InChIKeyRHXVBIXIGUMIJR-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.80
Rot. Bonds2

About 2-cyclopentyl-4-hydroxy-5-phenyl-1H-pyrimidin-6-one

2-cyclopentyl-4-hydroxy-5-phenyl-1H-pyrimidin-6-one (PubChem CID 65429882) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-cyclopentyl-4-hydroxy-5-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopentyl-4-hydroxy-5-phenyl-1H-pyrimidin-6-one
PubChem CID65429882
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-cyclopentyl-4-hydroxy-5-phenyl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CCCC2)nc(O)c1-c1ccccc1
InChIInChI=1S/C15H16N2O2/c18-14-12(10-6-2-1-3-7-10)15(19)17-13(16-14)11-8-4-5-9-11/h1-3,6-7,11H,4-5,8-9H2,(H2,16,17,18,19)
InChIKeyRHXVBIXIGUMIJR-UHFFFAOYSA-N
XLogP2.80
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-hydroxy-5-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopentyl-4-hydroxy-5-phenyl-1H-pyrimidin-6-one (CID 65429882) is 2-cyclopentyl-4-hydroxy-5-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopentyl-4-hydroxy-5-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopentyl-4-hydroxy-5-phenyl-1H-pyrimidin-6-one is O=c1[nH]c(C2CCCC2)nc(O)c1-c1ccccc1.
What is the InChIKey of 2-cyclopentyl-4-hydroxy-5-phenyl-1H-pyrimidin-6-one?
The InChIKey is RHXVBIXIGUMIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-14-12(10-6-2-1-3-7-10)15(19)17-13(16-14)11-8-4-5-9-11/h1-3,6-7,11H,4-5,8-9H2,(H2,16,17,18,19).
What are the key properties of 2-cyclopentyl-4-hydroxy-5-phenyl-1H-pyrimidin-6-one?
2-cyclopentyl-4-hydroxy-5-phenyl-1H-pyrimidin-6-one has a molecular weight of 256.31 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-hydroxy-5-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 65429882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).