4-N-(2-chlorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine

C15H19ClN4 — CID 112864012

IUPAC4-N-(2-chlorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
SMILESCC(C)CCNc1cc(Nc2ccccc2Cl)ncn1
InChIInChI=1S/C15H19ClN4/c1-11(2)7-8-17-14-9-15(19-10-18-14)20-13-6-4-3-5-12(13)16/h3-6,9-11H,7-8H2,1-2H3,(H2,17,18,19,20)
InChIKeyNHWLEENSQOCZJU-UHFFFAOYSA-N
MW290.80 g/mol
LogP4.33
Rot. Bonds6

About 4-N-(2-chlorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine

4-N-(2-chlorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine (PubChem CID 112864012) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 4-N-(2-chlorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-chlorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
PubChem CID112864012
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name4-N-(2-chlorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
SMILESCC(C)CCNc1cc(Nc2ccccc2Cl)ncn1
InChIInChI=1S/C15H19ClN4/c1-11(2)7-8-17-14-9-15(19-10-18-14)20-13-6-4-3-5-12(13)16/h3-6,9-11H,7-8H2,1-2H3,(H2,17,18,19,20)
InChIKeyNHWLEENSQOCZJU-UHFFFAOYSA-N
XLogP4.33
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(2-chlorophenyl)-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-(2-methoxyphenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112864024
4-N-[(2-chlorophenyl)methyl]-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112859886
4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,6-diamine
CID 112865738
4-N-tert-butyl-6-N-(2-chlorophenyl)pyrimidine-4,6-diamine
CID 112863787
4-N-(2-chlorophenyl)-6-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861730
4-N-(3-chloro-2-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855366
4-N-(4-fluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112864011
4-N-(2,4-dimethoxyphenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112864033
4-N-(2-chlorophenyl)-6-N-(4-chlorophenyl)pyrimidine-4,6-diamine
CID 112865740
4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80755281
1-[3-[[6-(3-methylbutylamino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112864038
4-N-(3,4-dimethoxyphenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112864034

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chlorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-chlorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine (CID 112864012) is 4-N-(2-chlorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-chlorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-chlorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine is CC(C)CCNc1cc(Nc2ccccc2Cl)ncn1.
What is the InChIKey of 4-N-(2-chlorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine?
The InChIKey is NHWLEENSQOCZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-11(2)7-8-17-14-9-15(19-10-18-14)20-13-6-4-3-5-12(13)16/h3-6,9-11H,7-8H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-(2-chlorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine?
4-N-(2-chlorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine has a molecular weight of 290.80 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chlorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112864012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).