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

C15H24N2O2 — CID 136963566

IUPAC2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methyl-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(C)cc(=O)[nH]2)CCC(C)(C)CC1
InChIInChI=1S/C15H24N2O2/c1-5-19-15(8-6-14(3,4)7-9-15)13-16-11(2)10-12(18)17-13/h10H,5-9H2,1-4H3,(H,16,17,18)
InChIKeyWGPYDVSPIMBRNZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.91
Rot. Bonds3

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

2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 136963566) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID136963566
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methyl-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(C)cc(=O)[nH]2)CCC(C)(C)CC1
InChIInChI=1S/C15H24N2O2/c1-5-19-15(8-6-14(3,4)7-9-15)13-16-11(2)10-12(18)17-13/h10H,5-9H2,1-4H3,(H,16,17,18)
InChIKeyWGPYDVSPIMBRNZ-UHFFFAOYSA-N
XLogP2.91
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethoxy-4-methylcyclohexyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963826
5-fluoro-2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1H-pyrimidin-6-one
CID 136963834
2-(1-ethoxy-4,4-dimethylcyclohexyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963838
5-fluoro-2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1H-pyrimidin-6-one
CID 136963839
2-(1-ethoxycyclohexyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136983392
2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475656
2-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
CID 113559511
2-(1-ethoxy-4-methylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one
CID 113559532
2-(1-methoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
CID 116744932
2-(1-ethoxycyclohexyl)-4-hydroxy-1H-pyrimidin-6-one
CID 116745104
2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one
CID 116745109
4-hydroxy-2-(1-methoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
CID 116745110

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methyl-1H-pyrimidin-6-one (CID 136963566) is 2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methyl-1H-pyrimidin-6-one is CCOC1(c2nc(C)cc(=O)[nH]2)CCC(C)(C)CC1.
What is the InChIKey of 2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is WGPYDVSPIMBRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-19-15(8-6-14(3,4)7-9-15)13-16-11(2)10-12(18)17-13/h10H,5-9H2,1-4H3,(H,16,17,18).
What are the key properties of 2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methyl-1H-pyrimidin-6-one?
2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 264.37 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136963566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).