4-cyclopentyl-2-(5-ethylfuran-2-yl)-1H-pyrimidin-6-one

C15H18N2O2 — CID 136729982

IUPAC4-cyclopentyl-2-(5-ethylfuran-2-yl)-1H-pyrimidin-6-one
SMILESCCc1ccc(-c2nc(C3CCCC3)cc(=O)[nH]2)o1
InChIInChI=1S/C15H18N2O2/c1-2-11-7-8-13(19-11)15-16-12(9-14(18)17-15)10-5-3-4-6-10/h7-10H,2-6H2,1H3,(H,16,17,18)
InChIKeyFNNXNPUPTWLQEW-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.25
Rot. Bonds3

About 4-cyclopentyl-2-(5-ethylfuran-2-yl)-1H-pyrimidin-6-one

4-cyclopentyl-2-(5-ethylfuran-2-yl)-1H-pyrimidin-6-one (PubChem CID 136729982) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-cyclopentyl-2-(5-ethylfuran-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopentyl-2-(5-ethylfuran-2-yl)-1H-pyrimidin-6-one
PubChem CID136729982
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-cyclopentyl-2-(5-ethylfuran-2-yl)-1H-pyrimidin-6-one
SMILESCCc1ccc(-c2nc(C3CCCC3)cc(=O)[nH]2)o1
InChIInChI=1S/C15H18N2O2/c1-2-11-7-8-13(19-11)15-16-12(9-14(18)17-15)10-5-3-4-6-10/h7-10H,2-6H2,1H3,(H,16,17,18)
InChIKeyFNNXNPUPTWLQEW-UHFFFAOYSA-N
XLogP3.25
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzofuran-2-yl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136729583
4-cyclopentyl-2-(4,5-dibromofuran-2-yl)-1H-pyrimidin-6-one
CID 136730017
4-cyclopropyl-2-(5-ethylthiophen-2-yl)-1H-pyrimidin-6-one
CID 135975441
4-cyclopentyl-2-[4-(dimethylamino)phenyl]-1H-pyrimidin-6-one
CID 136730004
4-cyclopentyl-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135947962
4-cyclopentyl-2-(3-cyclopropylphenyl)-1H-pyrimidin-6-one
CID 136730020
2-cyclobutyl-4-cyclopentyl-1H-pyrimidin-6-one
CID 136729492
4-cyclopentyl-2-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]-1H-pyrimidin-6-one
CID 135887646
4-cyclopentyl-2-(4-fluoro-3-methoxyphenyl)-1H-pyrimidin-6-one
CID 136889687
2-(2-bromo-5-methoxyphenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136774571
4-cyclopentyl-2-(4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
CID 136729426
2-(4-bromo-2-chlorophenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 137010481

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-(5-ethylfuran-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopentyl-2-(5-ethylfuran-2-yl)-1H-pyrimidin-6-one (CID 136729982) is 4-cyclopentyl-2-(5-ethylfuran-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopentyl-2-(5-ethylfuran-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopentyl-2-(5-ethylfuran-2-yl)-1H-pyrimidin-6-one is CCc1ccc(-c2nc(C3CCCC3)cc(=O)[nH]2)o1.
What is the InChIKey of 4-cyclopentyl-2-(5-ethylfuran-2-yl)-1H-pyrimidin-6-one?
The InChIKey is FNNXNPUPTWLQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-11-7-8-13(19-11)15-16-12(9-14(18)17-15)10-5-3-4-6-10/h7-10H,2-6H2,1H3,(H,16,17,18).
What are the key properties of 4-cyclopentyl-2-(5-ethylfuran-2-yl)-1H-pyrimidin-6-one?
4-cyclopentyl-2-(5-ethylfuran-2-yl)-1H-pyrimidin-6-one has a molecular weight of 258.32 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-(5-ethylfuran-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136729982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).