2-(1-benzofuran-2-yl)-4-cyclopentyl-1H-pyrimidin-6-one

C17H16N2O2 — CID 136729583

IUPAC2-(1-benzofuran-2-yl)-4-cyclopentyl-1H-pyrimidin-6-one
SMILESO=c1cc(C2CCCC2)nc(-c2cc3ccccc3o2)[nH]1
InChIInChI=1S/C17H16N2O2/c20-16-10-13(11-5-1-2-6-11)18-17(19-16)15-9-12-7-3-4-8-14(12)21-15/h3-4,7-11H,1-2,5-6H2,(H,18,19,20)
InChIKeyDMJUJNSYIJOESR-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.84
Rot. Bonds2

About 2-(1-benzofuran-2-yl)-4-cyclopentyl-1H-pyrimidin-6-one

2-(1-benzofuran-2-yl)-4-cyclopentyl-1H-pyrimidin-6-one (PubChem CID 136729583) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-4-cyclopentyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-4-cyclopentyl-1H-pyrimidin-6-one
PubChem CID136729583
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-(1-benzofuran-2-yl)-4-cyclopentyl-1H-pyrimidin-6-one
SMILESO=c1cc(C2CCCC2)nc(-c2cc3ccccc3o2)[nH]1
InChIInChI=1S/C17H16N2O2/c20-16-10-13(11-5-1-2-6-11)18-17(19-16)15-9-12-7-3-4-8-14(12)21-15/h3-4,7-11H,1-2,5-6H2,(H,18,19,20)
InChIKeyDMJUJNSYIJOESR-UHFFFAOYSA-N
XLogP3.84
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-benzofuran-2-yl)-4-cyclopentyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

4-cyclopentyl-2-(4,5-dibromofuran-2-yl)-1H-pyrimidin-6-one
CID 136730017
4-cyclopentyl-2-(5-ethylfuran-2-yl)-1H-pyrimidin-6-one
CID 136729982
4-cyclopentyl-2-(3-cyclopropylphenyl)-1H-pyrimidin-6-one
CID 136730020
2-(3-chloro-2-pyridinyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136847785
4-cyclopentyl-2-[4-(dimethylamino)phenyl]-1H-pyrimidin-6-one
CID 136730004
2-(2-methyl-5-phenylfuran-3-yl)-4-piperidin-3-yl-1H-pyrimidin-6-one
CID 135860468
2-cyclobutyl-4-cyclopentyl-1H-pyrimidin-6-one
CID 136729492
4-cyclopentyl-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135947962
2-(4-bromo-2-chlorophenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 137010481
2-(1-benzofuran-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941090
2-(1-benzofuran-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941659
2-(2-chloro-6-methoxyphenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136775591

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-4-cyclopentyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-benzofuran-2-yl)-4-cyclopentyl-1H-pyrimidin-6-one (CID 136729583) is 2-(1-benzofuran-2-yl)-4-cyclopentyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-4-cyclopentyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-benzofuran-2-yl)-4-cyclopentyl-1H-pyrimidin-6-one is O=c1cc(C2CCCC2)nc(-c2cc3ccccc3o2)[nH]1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-4-cyclopentyl-1H-pyrimidin-6-one?
The InChIKey is DMJUJNSYIJOESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-16-10-13(11-5-1-2-6-11)18-17(19-16)15-9-12-7-3-4-8-14(12)21-15/h3-4,7-11H,1-2,5-6H2,(H,18,19,20).
What are the key properties of 2-(1-benzofuran-2-yl)-4-cyclopentyl-1H-pyrimidin-6-one?
2-(1-benzofuran-2-yl)-4-cyclopentyl-1H-pyrimidin-6-one has a molecular weight of 280.33 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-4-cyclopentyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136729583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).