4-cyclopentyl-2-(4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one

C17H26N2O — CID 136729426

IUPAC4-cyclopentyl-2-(4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
SMILESCC1(C)CCC(c2nc(C3CCCC3)cc(=O)[nH]2)CC1
InChIInChI=1S/C17H26N2O/c1-17(2)9-7-13(8-10-17)16-18-14(11-15(20)19-16)12-5-3-4-6-12/h11-13H,3-10H2,1-2H3,(H,18,19,20)
InChIKeyHTXSRLVHXYMAGZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.11
Rot. Bonds2

About 4-cyclopentyl-2-(4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one

4-cyclopentyl-2-(4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one (PubChem CID 136729426) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-cyclopentyl-2-(4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopentyl-2-(4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
PubChem CID136729426
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-cyclopentyl-2-(4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
SMILESCC1(C)CCC(c2nc(C3CCCC3)cc(=O)[nH]2)CC1
InChIInChI=1S/C17H26N2O/c1-17(2)9-7-13(8-10-17)16-18-14(11-15(20)19-16)12-5-3-4-6-12/h11-13H,3-10H2,1-2H3,(H,18,19,20)
InChIKeyHTXSRLVHXYMAGZ-UHFFFAOYSA-N
XLogP4.11
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclobutyl-4-cyclopentyl-1H-pyrimidin-6-one
CID 136729492
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-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 136983286
4-cyclopentyl-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one
CID 136964163
4-cyclopentyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 136729455
2-cyclopentyl-N-(1-methylcyclodecyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 166481475
4-cyclopentyl-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 136729575
methyl 4-cyclopentyl-6-oxo-1H-pyrimidine-2-carboxylate
CID 136729563
4-cyclopentyl-2-[(2,4-difluorophenyl)methyl]-1H-pyrimidin-6-one
CID 136729559
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

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-(4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopentyl-2-(4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one (CID 136729426) is 4-cyclopentyl-2-(4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopentyl-2-(4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopentyl-2-(4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one is CC1(C)CCC(c2nc(C3CCCC3)cc(=O)[nH]2)CC1.
What is the InChIKey of 4-cyclopentyl-2-(4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one?
The InChIKey is HTXSRLVHXYMAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-17(2)9-7-13(8-10-17)16-18-14(11-15(20)19-16)12-5-3-4-6-12/h11-13H,3-10H2,1-2H3,(H,18,19,20).
What are the key properties of 4-cyclopentyl-2-(4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one?
4-cyclopentyl-2-(4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one has a molecular weight of 274.41 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-(4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136729426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).