[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methanol

C14H22N2O — CID 65415858

IUPAC[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methanol
SMILESCCC1CCCC(c2nc(C)cc(CO)n2)C1
InChIInChI=1S/C14H22N2O/c1-3-11-5-4-6-12(8-11)14-15-10(2)7-13(9-17)16-14/h7,11-12,17H,3-6,8-9H2,1-2H3
InChIKeyKHSBRBJUEVDXPX-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.96
Rot. Bonds3

About [2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methanol

[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methanol (PubChem CID 65415858) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methanol
PubChem CID65415858
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methanol
SMILESCCC1CCCC(c2nc(C)cc(CO)n2)C1
InChIInChI=1S/C14H22N2O/c1-3-11-5-4-6-12(8-11)14-15-10(2)7-13(9-17)16-14/h7,11-12,17H,3-6,8-9H2,1-2H3
InChIKeyKHSBRBJUEVDXPX-UHFFFAOYSA-N
XLogP2.96
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine
CID 65415249
1-[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]propan-2-amine
CID 65414649
[2-(3-ethylcyclohexyl)pyrimidin-4-yl]methanol
CID 65415658
2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine
CID 65413615
[6-methyl-2-(4-propylcyclohexyl)pyrimidin-4-yl]methanol
CID 65403208
[2-(4-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methanamine
CID 65390143
2-cyclobutyl-4,6-dimethylpyrimidine
CID 122534003
N-[(2-cyclobutyl-6-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 64986163
2-(3-ethylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine
CID 65415033
[6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methanol
CID 65404283
2-(3-ethylcyclohexyl)-N,5,6-trimethylpyrimidin-4-amine
CID 65413620
N-[(2-cyclooctyl-6-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 80609922

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methanol?
The IUPAC name of [2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methanol (CID 65415858) is [2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methanol.
What is the SMILES notation for [2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methanol?
The canonical SMILES for [2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methanol is CCC1CCCC(c2nc(C)cc(CO)n2)C1.
What is the InChIKey of [2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methanol?
The InChIKey is KHSBRBJUEVDXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-11-5-4-6-12(8-11)14-15-10(2)7-13(9-17)16-14/h7,11-12,17H,3-6,8-9H2,1-2H3.
What are the key properties of [2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methanol?
[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methanol has a molecular weight of 234.34 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methanol is sourced from PubChem (CID 65415858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).