4-N-cyclohexyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine

C15H26N4 — CID 112856250

IUPAC4-N-cyclohexyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
SMILESCC(C)CCNc1cc(NC2CCCCC2)ncn1
InChIInChI=1S/C15H26N4/c1-12(2)8-9-16-14-10-15(18-11-17-14)19-13-6-4-3-5-7-13/h10-13H,3-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyXCLNMGHMMDOAFZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.68
Rot. Bonds6

About 4-N-cyclohexyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine

4-N-cyclohexyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine (PubChem CID 112856250) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-N-cyclohexyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
PubChem CID112856250
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name4-N-cyclohexyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
SMILESCC(C)CCNc1cc(NC2CCCCC2)ncn1
InChIInChI=1S/C15H26N4/c1-12(2)8-9-16-14-10-15(18-11-17-14)19-13-6-4-3-5-7-13/h10-13H,3-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyXCLNMGHMMDOAFZ-UHFFFAOYSA-N
XLogP3.68
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-cyclohexyl-6-N-(3-methylbutyl)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-cyclohexyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112869040
4-N-cyclopentyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112868668
6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine
CID 112854680
4-N-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80769657
4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112861063
4-N-cyclopentyl-6-N-(3-methylbutyl)-2-phenylpyrimidine-4,6-diamine
CID 112880067
4-N-cyclopropyl-6-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 112854687
4-N-cyclopropyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112867516
4-N-cyclopropyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine
CID 112854689
4-N-cyclohexyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112856213
N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112863983
N-cyclohexyl-6-propan-2-yloxypyrimidin-4-amine
CID 66326722

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclohexyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine (CID 112856250) is 4-N-cyclohexyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclohexyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclohexyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine is CC(C)CCNc1cc(NC2CCCCC2)ncn1.
What is the InChIKey of 4-N-cyclohexyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine?
The InChIKey is XCLNMGHMMDOAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-12(2)8-9-16-14-10-15(18-11-17-14)19-13-6-4-3-5-7-13/h10-13H,3-9H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-cyclohexyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine?
4-N-cyclohexyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112856250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).