1-[4-methyl-2-(4-propylcyclohexyl)pyrimidin-5-yl]ethanamine

C16H27N3 — CID 65401995

IUPAC1-[4-methyl-2-(4-propylcyclohexyl)pyrimidin-5-yl]ethanamine
SMILESCCCC1CCC(c2ncc(C(C)N)c(C)n2)CC1
InChIInChI=1S/C16H27N3/c1-4-5-13-6-8-14(9-7-13)16-18-10-15(11(2)17)12(3)19-16/h10-11,13-14H,4-9,17H2,1-3H3
InChIKeyJUGHBQQFFSEUFX-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.88
Rot. Bonds4

About 1-[4-methyl-2-(4-propylcyclohexyl)pyrimidin-5-yl]ethanamine

1-[4-methyl-2-(4-propylcyclohexyl)pyrimidin-5-yl]ethanamine (PubChem CID 65401995) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[4-methyl-2-(4-propylcyclohexyl)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name1-[4-methyl-2-(4-propylcyclohexyl)pyrimidin-5-yl]ethanamine
PubChem CID65401995
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-[4-methyl-2-(4-propylcyclohexyl)pyrimidin-5-yl]ethanamine
SMILESCCCC1CCC(c2ncc(C(C)N)c(C)n2)CC1
InChIInChI=1S/C16H27N3/c1-4-5-13-6-8-14(9-7-13)16-18-10-15(11(2)17)12(3)19-16/h10-11,13-14H,4-9,17H2,1-3H3
InChIKeyJUGHBQQFFSEUFX-UHFFFAOYSA-N
XLogP3.88
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-methyl-2-(4-propylcyclohexyl)pyrimidin-5-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-5-propyl-2-(4-propylcyclohexyl)pyrimidine
CID 70493707
1-[2-(4-propylcyclohexyl)pyrimidin-5-yl]propan-2-amine
CID 65401591
4-(4-propylcyclohexyl)-1,3,5-triazin-2-amine
CID 65400793
5-ethyl-2-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]pyrimidine
CID 19839806
N-[1-(2-cyclohexyl-4-methylpyrimidin-5-yl)ethyl]propan-1-amine
CID 62771560
1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65422874
[6-methyl-5-propan-2-yl-2-(4-propylcyclohexyl)pyrimidin-4-yl]hydrazine
CID 65401375
5-(methoxymethyl)-2-(4-propylcyclohexyl)pyrimidine
CID 19839813
N-ethyl-1-[4-methyl-2-(3-methylcyclopentyl)pyrimidin-5-yl]ethanamine
CID 65414648
5-bromo-2-cyclopropyl-4-methylpyrimidine
CID 82374731
(1R)-1-[2-(2-bicyclo[2.2.1]heptanyl)-4-methylpyrimidin-5-yl]ethanamine
CID 103431749
1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 65423654

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(4-propylcyclohexyl)pyrimidin-5-yl]ethanamine?
The IUPAC name of 1-[4-methyl-2-(4-propylcyclohexyl)pyrimidin-5-yl]ethanamine (CID 65401995) is 1-[4-methyl-2-(4-propylcyclohexyl)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for 1-[4-methyl-2-(4-propylcyclohexyl)pyrimidin-5-yl]ethanamine?
The canonical SMILES for 1-[4-methyl-2-(4-propylcyclohexyl)pyrimidin-5-yl]ethanamine is CCCC1CCC(c2ncc(C(C)N)c(C)n2)CC1.
What is the InChIKey of 1-[4-methyl-2-(4-propylcyclohexyl)pyrimidin-5-yl]ethanamine?
The InChIKey is JUGHBQQFFSEUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-5-13-6-8-14(9-7-13)16-18-10-15(11(2)17)12(3)19-16/h10-11,13-14H,4-9,17H2,1-3H3.
What are the key properties of 1-[4-methyl-2-(4-propylcyclohexyl)pyrimidin-5-yl]ethanamine?
1-[4-methyl-2-(4-propylcyclohexyl)pyrimidin-5-yl]ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(4-propylcyclohexyl)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 65401995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).