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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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).