2,5-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine

C13H22N4 — CID 80771822

IUPAC2,5-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(NC2CCC(C)CC2)n1
InChIInChI=1S/C13H22N4/c1-8-4-6-11(7-5-8)17-13-9(2)12(14)15-10(3)16-13/h8,11H,4-7H2,1-3H3,(H3,14,15,16,17)
InChIKeyXVKIRPXHSNNXHP-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.67
Rot. Bonds2

About 2,5-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine

2,5-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine (PubChem CID 80771822) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2,5-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2,5-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine
PubChem CID80771822
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2,5-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(NC2CCC(C)CC2)n1
InChIInChI=1S/C13H22N4/c1-8-4-6-11(7-5-8)17-13-9(2)12(14)15-10(3)16-13/h8,11H,4-7H2,1-3H3,(H3,14,15,16,17)
InChIKeyXVKIRPXHSNNXHP-UHFFFAOYSA-N
XLogP2.67
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,5-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine 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-N-(2,4-dimethylcyclohexyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80835086
2,5-dimethyl-4-N-(2-methylcyclopropyl)pyrimidine-4,6-diamine
CID 80826930
2,5-dimethyl-4-N-(2-methylcyclopentyl)pyrimidine-4,6-diamine
CID 80829505
4-N-(1,1-dioxothiolan-3-yl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80786199
N-cyclopentyl-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80932373
N-cyclobutyl-2,5,6-trimethylpyrimidin-4-amine
CID 130906121
2,5,6-trimethyl-N-piperidin-4-ylpyrimidin-4-amine
CID 94075339
4-N-(2,6-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidine-4,6-diamine
CID 83028090
4-N-cyclopentyl-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80769676
5-methyl-4-N-(3-methylcyclohexyl)-2-propylpyrimidine-4,6-diamine
CID 80994131
4-N-(3,4-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80992735
6-chloro-2-ethyl-5-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 80970615

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine?
The IUPAC name of 2,5-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine (CID 80771822) is 2,5-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2,5-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2,5-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine is Cc1nc(N)c(C)c(NC2CCC(C)CC2)n1.
What is the InChIKey of 2,5-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine?
The InChIKey is XVKIRPXHSNNXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-8-4-6-11(7-5-8)17-13-9(2)12(14)15-10(3)16-13/h8,11H,4-7H2,1-3H3,(H3,14,15,16,17).
What are the key properties of 2,5-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine?
2,5-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80771822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).