[2-(4-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methanamine

C14H23N3 — CID 65390143

IUPAC[2-(4-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methanamine
SMILESCCC1CCC(c2nc(C)cc(CN)n2)CC1
InChIInChI=1S/C14H23N3/c1-3-11-4-6-12(7-5-11)14-16-10(2)8-13(9-15)17-14/h8,11-12H,3-7,9,15H2,1-2H3
InChIKeyCNHGTDIOYDIQDJ-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.93
Rot. Bonds3

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

[2-(4-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methanamine (PubChem CID 65390143) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is [2-(4-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(4-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methanamine
PubChem CID65390143
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name[2-(4-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methanamine
SMILESCCC1CCC(c2nc(C)cc(CN)n2)CC1
InChIInChI=1S/C14H23N3/c1-3-11-4-6-12(7-5-11)14-16-10(2)8-13(9-15)17-14/h8,11-12H,3-7,9,15H2,1-2H3
InChIKeyCNHGTDIOYDIQDJ-UHFFFAOYSA-N
XLogP2.93
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methanamine?
The IUPAC name of [2-(4-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methanamine (CID 65390143) is [2-(4-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(4-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(4-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methanamine is CCC1CCC(c2nc(C)cc(CN)n2)CC1.
What is the InChIKey of [2-(4-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methanamine?
The InChIKey is CNHGTDIOYDIQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-3-11-4-6-12(7-5-11)14-16-10(2)8-13(9-15)17-14/h8,11-12H,3-7,9,15H2,1-2H3.
What are the key properties of [2-(4-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methanamine?
[2-(4-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methanamine has a molecular weight of 233.36 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methanamine is sourced from PubChem (CID 65390143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).