2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one

C17H28N2O2 — CID 136963802

IUPAC2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(CC)c(C)c(=O)[nH]2)CCC(C)(C)CC1
InChIInChI=1S/C17H28N2O2/c1-6-13-12(3)14(20)19-15(18-13)17(21-7-2)10-8-16(4,5)9-11-17/h6-11H2,1-5H3,(H,18,19,20)
InChIKeyVDNIJDWXICTDEX-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.47
Rot. Bonds4

About 2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one

2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one (PubChem CID 136963802) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
PubChem CID136963802
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(CC)c(C)c(=O)[nH]2)CCC(C)(C)CC1
InChIInChI=1S/C17H28N2O2/c1-6-13-12(3)14(20)19-15(18-13)17(21-7-2)10-8-16(4,5)9-11-17/h6-11H2,1-5H3,(H,18,19,20)
InChIKeyVDNIJDWXICTDEX-UHFFFAOYSA-N
XLogP3.47
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethoxycyclopentyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136963792
2-(1-ethoxy-4-methylcyclohexyl)-4-ethyl-5-iodo-1H-pyrimidin-6-one
CID 136963971
5-bromo-2-(1-ethoxy-4-methylcyclohexyl)-4-ethyl-1H-pyrimidin-6-one
CID 136963951
2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 116782608
3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137017896
2-(1-ethoxy-4,4-dimethylcyclohexyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476925
2-(1-ethoxycyclopentyl)-5-iodo-4-methyl-1H-pyrimidin-6-one
CID 136963871
5-bromo-2-(1-ethoxycyclopentyl)-4-propyl-1H-pyrimidin-6-one
CID 136963889
2-(1-ethoxycyclohexyl)-5-iodo-4-methyl-1H-pyrimidin-6-one
CID 136983398
5-bromo-2-(1-ethoxycyclohexyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136964105
4-tert-butyl-2-(1-ethoxycyclopentyl)-5-iodo-1H-pyrimidin-6-one
CID 136963939
2-(1-ethoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one
CID 136963559

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one (CID 136963802) is 2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one is CCOC1(c2nc(CC)c(C)c(=O)[nH]2)CCC(C)(C)CC1.
What is the InChIKey of 2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one?
The InChIKey is VDNIJDWXICTDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-6-13-12(3)14(20)19-15(18-13)17(21-7-2)10-8-16(4,5)9-11-17/h6-11H2,1-5H3,(H,18,19,20).
What are the key properties of 2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one?
2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one has a molecular weight of 292.42 g/mol, XLogP of 3.47, 4 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-ethyl-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136963802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).