2-cyclobutyl-4-cyclopentyl-1H-pyrimidin-6-one

C13H18N2O — CID 136729492

IUPAC2-cyclobutyl-4-cyclopentyl-1H-pyrimidin-6-one
SMILESO=c1cc(C2CCCC2)nc(C2CCC2)[nH]1
InChIInChI=1S/C13H18N2O/c16-12-8-11(9-4-1-2-5-9)14-13(15-12)10-6-3-7-10/h8-10H,1-7H2,(H,14,15,16)
InChIKeyZRSCGCCNDZVOCD-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.69
Rot. Bonds2

About 2-cyclobutyl-4-cyclopentyl-1H-pyrimidin-6-one

2-cyclobutyl-4-cyclopentyl-1H-pyrimidin-6-one (PubChem CID 136729492) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-cyclobutyl-4-cyclopentyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclobutyl-4-cyclopentyl-1H-pyrimidin-6-one
PubChem CID136729492
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-cyclobutyl-4-cyclopentyl-1H-pyrimidin-6-one
SMILESO=c1cc(C2CCCC2)nc(C2CCC2)[nH]1
InChIInChI=1S/C13H18N2O/c16-12-8-11(9-4-1-2-5-9)14-13(15-12)10-6-3-7-10/h8-10H,1-7H2,(H,14,15,16)
InChIKeyZRSCGCCNDZVOCD-UHFFFAOYSA-N
XLogP2.69
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclopentyl-2-(4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
CID 136729426
4-cyclopentyl-2-(oxan-3-yl)-1H-pyrimidin-6-one
CID 136964441
4-cyclopentyl-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135947962
4-cyclopentyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 136729455
4-cyclopentyl-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 136729575
4-cyclopentyl-2-(4,5-dibromofuran-2-yl)-1H-pyrimidin-6-one
CID 136730017
4-(3-cyclobutylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136770354
methyl 4-cyclopentyl-6-oxo-1H-pyrimidine-2-carboxylate
CID 136729563
4-(cyclooctylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136973649
4-cyclobutyl-6-cyclopropyl-1H-pyrimidin-2-one
CID 130056140
4-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrimidin-6-one
CID 136860261
4-cyclopentyl-2-[(2,4-difluorophenyl)methyl]-1H-pyrimidin-6-one
CID 136729559

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-4-cyclopentyl-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclobutyl-4-cyclopentyl-1H-pyrimidin-6-one (CID 136729492) is 2-cyclobutyl-4-cyclopentyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclobutyl-4-cyclopentyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclobutyl-4-cyclopentyl-1H-pyrimidin-6-one is O=c1cc(C2CCCC2)nc(C2CCC2)[nH]1.
What is the InChIKey of 2-cyclobutyl-4-cyclopentyl-1H-pyrimidin-6-one?
The InChIKey is ZRSCGCCNDZVOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c16-12-8-11(9-4-1-2-5-9)14-13(15-12)10-6-3-7-10/h8-10H,1-7H2,(H,14,15,16).
What are the key properties of 2-cyclobutyl-4-cyclopentyl-1H-pyrimidin-6-one?
2-cyclobutyl-4-cyclopentyl-1H-pyrimidin-6-one has a molecular weight of 218.30 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-4-cyclopentyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136729492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).