4-cyclopentyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one

C17H20N2O2 — CID 136729467

IUPAC4-cyclopentyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one
SMILESCOc1cccc(Cc2nc(C3CCCC3)cc(=O)[nH]2)c1
InChIInChI=1S/C17H20N2O2/c1-21-14-8-4-5-12(9-14)10-16-18-15(11-17(20)19-16)13-6-2-3-7-13/h4-5,8-9,11,13H,2-3,6-7,10H2,1H3,(H,18,19,20)
InChIKeyQNVNAWJMLCVEHH-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.03
Rot. Bonds4

About 4-cyclopentyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one

4-cyclopentyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one (PubChem CID 136729467) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-cyclopentyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopentyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one
PubChem CID136729467
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-cyclopentyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one
SMILESCOc1cccc(Cc2nc(C3CCCC3)cc(=O)[nH]2)c1
InChIInChI=1S/C17H20N2O2/c1-21-14-8-4-5-12(9-14)10-16-18-15(11-17(20)19-16)13-6-2-3-7-13/h4-5,8-9,11,13H,2-3,6-7,10H2,1H3,(H,18,19,20)
InChIKeyQNVNAWJMLCVEHH-UHFFFAOYSA-N
XLogP3.03
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopropyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 135975552
4-[(3R)-1-cyclohexyl-5-oxopyrrolidin-3-yl]-2-[(3-methoxyphenyl)methylamino]-1H-pyrimidin-6-one
CID 136850355
4-cyclopentyl-2-[(2,4-dichlorophenyl)methyl]-1H-pyrimidin-6-one
CID 136729443
2-(2-bromo-5-methoxyphenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136774571
2-[(3-methoxyphenyl)methyl]-4,6-dimethyl-5-piperidin-3-ylpyrimidine
CID 115069993
6-methoxy-2-[(3-methoxyphenyl)methyl]-1H-benzimidazole
CID 65017876
2-[(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-4-methyl-1H-pyrimidin-6-one
CID 136860398
4-[(3R)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136850293
2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136850333
4-hydroxy-6-[(3-methoxyphenyl)methyl]-1H-pyridin-2-one
CID 118471216
3-[(3-methoxyphenyl)methyl]-1H-pyridazin-6-one
CID 11769880
2-(2-chloro-6-methoxyphenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136775591

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopentyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one (CID 136729467) is 4-cyclopentyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopentyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopentyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one is COc1cccc(Cc2nc(C3CCCC3)cc(=O)[nH]2)c1.
What is the InChIKey of 4-cyclopentyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one?
The InChIKey is QNVNAWJMLCVEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-21-14-8-4-5-12(9-14)10-16-18-15(11-17(20)19-16)13-6-2-3-7-13/h4-5,8-9,11,13H,2-3,6-7,10H2,1H3,(H,18,19,20).
What are the key properties of 4-cyclopentyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one?
4-cyclopentyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one has a molecular weight of 284.36 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136729467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).