2-(4-ethylcyclohexyl)-N-methylpyrimidin-4-amine

C13H21N3 — CID 65391328

IUPAC2-(4-ethylcyclohexyl)-N-methylpyrimidin-4-amine
SMILESCCC1CCC(c2nccc(NC)n2)CC1
InChIInChI=1S/C13H21N3/c1-3-10-4-6-11(7-5-10)13-15-9-8-12(14-2)16-13/h8-11H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyCYTHHHQARGACKG-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.20
Rot. Bonds3

About 2-(4-ethylcyclohexyl)-N-methylpyrimidin-4-amine

2-(4-ethylcyclohexyl)-N-methylpyrimidin-4-amine (PubChem CID 65391328) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(4-ethylcyclohexyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-ethylcyclohexyl)-N-methylpyrimidin-4-amine
PubChem CID65391328
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-(4-ethylcyclohexyl)-N-methylpyrimidin-4-amine
SMILESCCC1CCC(c2nccc(NC)n2)CC1
InChIInChI=1S/C13H21N3/c1-3-10-4-6-11(7-5-10)13-15-9-8-12(14-2)16-13/h8-11H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyCYTHHHQARGACKG-UHFFFAOYSA-N
XLogP3.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(4-ethylcyclohexyl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine
CID 65389946
4-N-[(4-ethylcyclohexyl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80818859
2-(4-ethylcyclohexyl)-N-methyl-6-propylpyrimidin-4-amine
CID 65390530
2-(4-ethylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine
CID 66302905
N-ethyl-2-(3-ethylcyclohexyl)pyrimidin-4-amine
CID 65413212
2-cyclopropyl-4-N-(4-ethylcyclohexyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80961755
4-(4-ethylcyclohexyl)-1,3,5-triazin-2-amine
CID 65390155
2-(3-ethylcyclopentyl)pyrimidine-4-carboxylic acid
CID 65405640
2-[2-(3-ethylcyclopentyl)pyrimidin-4-yl]ethanamine
CID 65403501
2-chloro-N-(4-ethylcyclohexyl)pyrimidin-4-amine
CID 62344065
2-cyclopropyl-6-N-methyl-4-N-(4-propylcyclohexyl)pyrimidine-4,6-diamine
CID 80961016
6-cyclopropyl-N-ethyl-2-(4-ethylcyclohexyl)pyrimidin-4-amine
CID 65389352

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylcyclohexyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(4-ethylcyclohexyl)-N-methylpyrimidin-4-amine (CID 65391328) is 2-(4-ethylcyclohexyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-ethylcyclohexyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(4-ethylcyclohexyl)-N-methylpyrimidin-4-amine is CCC1CCC(c2nccc(NC)n2)CC1.
What is the InChIKey of 2-(4-ethylcyclohexyl)-N-methylpyrimidin-4-amine?
The InChIKey is CYTHHHQARGACKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-10-4-6-11(7-5-10)13-15-9-8-12(14-2)16-13/h8-11H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(4-ethylcyclohexyl)-N-methylpyrimidin-4-amine?
2-(4-ethylcyclohexyl)-N-methylpyrimidin-4-amine has a molecular weight of 219.33 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylcyclohexyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 65391328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).