5-cyclopentyl-4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one

C17H20N2O2 — CID 115926310

IUPAC5-cyclopentyl-4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
SMILESCc1ccccc1Cc1nc(O)c(C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C17H20N2O2/c1-11-6-2-3-9-13(11)10-14-18-16(20)15(17(21)19-14)12-7-4-5-8-12/h2-3,6,9,12H,4-5,7-8,10H2,1H3,(H2,18,19,20,21)
InChIKeyWVTZCEGVGOADJL-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.03
Rot. Bonds3

About 5-cyclopentyl-4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one

5-cyclopentyl-4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one (PubChem CID 115926310) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-cyclopentyl-4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclopentyl-4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
PubChem CID115926310
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name5-cyclopentyl-4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
SMILESCc1ccccc1Cc1nc(O)c(C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C17H20N2O2/c1-11-6-2-3-9-13(11)10-14-18-16(20)15(17(21)19-14)12-7-4-5-8-12/h2-3,6,9,12H,4-5,7-8,10H2,1H3,(H2,18,19,20,21)
InChIKeyWVTZCEGVGOADJL-UHFFFAOYSA-N
XLogP3.03
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclopentyl-4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one (CID 115926310) is 5-cyclopentyl-4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclopentyl-4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclopentyl-4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one is Cc1ccccc1Cc1nc(O)c(C2CCCC2)c(=O)[nH]1.
What is the InChIKey of 5-cyclopentyl-4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one?
The InChIKey is WVTZCEGVGOADJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-6-2-3-9-13(11)10-14-18-16(20)15(17(21)19-14)12-7-4-5-8-12/h2-3,6,9,12H,4-5,7-8,10H2,1H3,(H2,18,19,20,21).
What are the key properties of 5-cyclopentyl-4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one?
5-cyclopentyl-4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one has a molecular weight of 284.36 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 115926310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).