2,5-dichloro-N-(4-ethylcyclohexyl)-N-methylpyrimidin-4-amine

C13H19Cl2N3 — CID 79632393

IUPAC2,5-dichloro-N-(4-ethylcyclohexyl)-N-methylpyrimidin-4-amine
SMILESCCC1CCC(N(C)c2nc(Cl)ncc2Cl)CC1
InChIInChI=1S/C13H19Cl2N3/c1-3-9-4-6-10(7-5-9)18(2)12-11(14)8-16-13(15)17-12/h8-10H,3-7H2,1-2H3
InChIKeyBLAFVHQMAINRKW-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.19
Rot. Bonds3

About 2,5-dichloro-N-(4-ethylcyclohexyl)-N-methylpyrimidin-4-amine

2,5-dichloro-N-(4-ethylcyclohexyl)-N-methylpyrimidin-4-amine (PubChem CID 79632393) has the molecular formula C13H19Cl2N3 and a molecular weight of 288.22 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-ethylcyclohexyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-(4-ethylcyclohexyl)-N-methylpyrimidin-4-amine
PubChem CID79632393
Molecular FormulaC13H19Cl2N3
Molecular Weight288.22 g/mol
Exact Mass287.10
IUPAC Name2,5-dichloro-N-(4-ethylcyclohexyl)-N-methylpyrimidin-4-amine
SMILESCCC1CCC(N(C)c2nc(Cl)ncc2Cl)CC1
InChIInChI=1S/C13H19Cl2N3/c1-3-9-4-6-10(7-5-9)18(2)12-11(14)8-16-13(15)17-12/h8-10H,3-7H2,1-2H3
InChIKeyBLAFVHQMAINRKW-UHFFFAOYSA-N
XLogP4.19
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,5-dichloro-N-(4-ethylcyclohexyl)-N-methylpyrimidin-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

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4-ethylcyclohexyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-(4-ethylcyclohexyl)-N-methylpyrimidin-4-amine (CID 79632393) is 2,5-dichloro-N-(4-ethylcyclohexyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-(4-ethylcyclohexyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-(4-ethylcyclohexyl)-N-methylpyrimidin-4-amine is CCC1CCC(N(C)c2nc(Cl)ncc2Cl)CC1.
What is the InChIKey of 2,5-dichloro-N-(4-ethylcyclohexyl)-N-methylpyrimidin-4-amine?
The InChIKey is BLAFVHQMAINRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3/c1-3-9-4-6-10(7-5-9)18(2)12-11(14)8-16-13(15)17-12/h8-10H,3-7H2,1-2H3.
What are the key properties of 2,5-dichloro-N-(4-ethylcyclohexyl)-N-methylpyrimidin-4-amine?
2,5-dichloro-N-(4-ethylcyclohexyl)-N-methylpyrimidin-4-amine has a molecular weight of 288.22 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4-ethylcyclohexyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 79632393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).