2-(1-ethoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one

C13H20N2O2 — CID 116744917

IUPAC2-(1-ethoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one
SMILESCCOC1(c2nccc(=O)[nH]2)CCC(C)CC1
InChIInChI=1S/C13H20N2O2/c1-3-17-13(7-4-10(2)5-8-13)12-14-9-6-11(16)15-12/h6,9-10H,3-5,7-8H2,1-2H3,(H,14,15,16)
InChIKeyDYICZFNXGDFJAZ-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.21
Rot. Bonds3

About 2-(1-ethoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one

2-(1-ethoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one (PubChem CID 116744917) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(1-ethoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one
PubChem CID116744917
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(1-ethoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one
SMILESCCOC1(c2nccc(=O)[nH]2)CCC(C)CC1
InChIInChI=1S/C13H20N2O2/c1-3-17-13(7-4-10(2)5-8-13)12-14-9-6-11(16)15-12/h6,9-10H,3-5,7-8H2,1-2H3,(H,14,15,16)
InChIKeyDYICZFNXGDFJAZ-UHFFFAOYSA-N
XLogP2.21
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethoxy-4-methylcyclohexyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136963627
2-(1-ethoxy-4-methylcyclohexyl)-4-ethyl-5-iodo-1H-pyrimidin-6-one
CID 136963971
N-[[2-(1-ethoxy-4-methylcyclohexyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116779838
2-(1-methoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
CID 116744932
N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 116778505
5-bromo-2-(1-ethoxy-4-methylcyclohexyl)-4-ethyl-1H-pyrimidin-6-one
CID 136963951
2-(1-ethoxy-4-methylcyclohexyl)-1,4-dihydroimidazol-5-one
CID 106951863
2-(1-ethoxycycloheptyl)-1H-pyrimidine-6-thione
CID 106476488
2-[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]ethanamine
CID 116779124
2-(1-methoxy-4-methylcyclohexyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 137017949
2-(1-ethoxy-4-methylcyclohexyl)-N-propylpyrimidin-4-amine
CID 116776078
4-cyclopropyl-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one
CID 136963776

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one (CID 116744917) is 2-(1-ethoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one is CCOC1(c2nccc(=O)[nH]2)CCC(C)CC1.
What is the InChIKey of 2-(1-ethoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one?
The InChIKey is DYICZFNXGDFJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-17-13(7-4-10(2)5-8-13)12-14-9-6-11(16)15-12/h6,9-10H,3-5,7-8H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(1-ethoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one?
2-(1-ethoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one has a molecular weight of 236.31 g/mol, XLogP of 2.21, 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-methylcyclohexyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116744917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).