6-chloro-N-(3,5-dimethylcyclohexyl)-5-ethylpyrimidin-4-amine

C14H22ClN3 — CID 64732155

IUPAC6-chloro-N-(3,5-dimethylcyclohexyl)-5-ethylpyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1NC1CC(C)CC(C)C1
InChIInChI=1S/C14H22ClN3/c1-4-12-13(15)16-8-17-14(12)18-11-6-9(2)5-10(3)7-11/h8-11H,4-7H2,1-3H3,(H,16,17,18)
InChIKeyZRPPIJJBBQEZSQ-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.93
Rot. Bonds3

About 6-chloro-N-(3,5-dimethylcyclohexyl)-5-ethylpyrimidin-4-amine

6-chloro-N-(3,5-dimethylcyclohexyl)-5-ethylpyrimidin-4-amine (PubChem CID 64732155) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 6-chloro-N-(3,5-dimethylcyclohexyl)-5-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3,5-dimethylcyclohexyl)-5-ethylpyrimidin-4-amine
PubChem CID64732155
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name6-chloro-N-(3,5-dimethylcyclohexyl)-5-ethylpyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1NC1CC(C)CC(C)C1
InChIInChI=1S/C14H22ClN3/c1-4-12-13(15)16-8-17-14(12)18-11-6-9(2)5-10(3)7-11/h8-11H,4-7H2,1-3H3,(H,16,17,18)
InChIKeyZRPPIJJBBQEZSQ-UHFFFAOYSA-N
XLogP3.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-N-(3,5-dimethylcyclohexyl)-5-ethylpyrimidin-4-amine 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

6-chloro-5-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 63729756
6-chloro-N-cyclopropyl-5-ethylpyrimidin-4-amine
CID 63734410
N-(3,5-dimethylcyclohexyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80915420
6-chloro-5-ethyl-N-(thiolan-3-yl)pyrimidin-4-amine
CID 103064329
N-(3,5-dimethylcyclohexyl)-6-ethyl-5-fluoropyrimidin-4-amine
CID 114045628
3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114630405
4-N-(3,5-dimethylcyclohexyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80841234
5-ethyl-6-N-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80783931
1-[[(6-chloro-5-ethylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65121660
5-chloro-N-(3-methylcyclobutyl)pyrimidin-4-amine
CID 105369616
4-N-(3,5-dimethylcyclohexyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80840621
3-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80856330

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,5-dimethylcyclohexyl)-5-ethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3,5-dimethylcyclohexyl)-5-ethylpyrimidin-4-amine (CID 64732155) is 6-chloro-N-(3,5-dimethylcyclohexyl)-5-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3,5-dimethylcyclohexyl)-5-ethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3,5-dimethylcyclohexyl)-5-ethylpyrimidin-4-amine is CCc1c(Cl)ncnc1NC1CC(C)CC(C)C1.
What is the InChIKey of 6-chloro-N-(3,5-dimethylcyclohexyl)-5-ethylpyrimidin-4-amine?
The InChIKey is ZRPPIJJBBQEZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-4-12-13(15)16-8-17-14(12)18-11-6-9(2)5-10(3)7-11/h8-11H,4-7H2,1-3H3,(H,16,17,18).
What are the key properties of 6-chloro-N-(3,5-dimethylcyclohexyl)-5-ethylpyrimidin-4-amine?
6-chloro-N-(3,5-dimethylcyclohexyl)-5-ethylpyrimidin-4-amine has a molecular weight of 267.80 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,5-dimethylcyclohexyl)-5-ethylpyrimidin-4-amine is sourced from PubChem (CID 64732155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).