2-N-(6-chloro-2-ethylpyrimidin-4-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine

C19H19ClN4 — CID 108778186

IUPAC2-N-(6-chloro-2-ethylpyrimidin-4-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine
SMILESCCc1nc(Cl)cc(Nc2ccccc2Nc2ccc(C)cc2)n1
InChIInChI=1S/C19H19ClN4/c1-3-18-23-17(20)12-19(24-18)22-16-7-5-4-6-15(16)21-14-10-8-13(2)9-11-14/h4-12,21H,3H2,1-2H3,(H,22,23,24)
InChIKeyFTBZEPPGKWDGBI-UHFFFAOYSA-N
MW338.84 g/mol
LogP5.49
Rot. Bonds5

About 2-N-(6-chloro-2-ethylpyrimidin-4-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine

2-N-(6-chloro-2-ethylpyrimidin-4-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine (PubChem CID 108778186) has the molecular formula C19H19ClN4 and a molecular weight of 338.84 g/mol. Its IUPAC name is 2-N-(6-chloro-2-ethylpyrimidin-4-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(6-chloro-2-ethylpyrimidin-4-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine
PubChem CID108778186
Molecular FormulaC19H19ClN4
Molecular Weight338.84 g/mol
Exact Mass338.13
IUPAC Name2-N-(6-chloro-2-ethylpyrimidin-4-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine
SMILESCCc1nc(Cl)cc(Nc2ccccc2Nc2ccc(C)cc2)n1
InChIInChI=1S/C19H19ClN4/c1-3-18-23-17(20)12-19(24-18)22-16-7-5-4-6-15(16)21-14-10-8-13(2)9-11-14/h4-12,21H,3H2,1-2H3,(H,22,23,24)
InChIKeyFTBZEPPGKWDGBI-UHFFFAOYSA-N
XLogP5.49
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.84
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-(6-chloro-2-ethylpyrimidin-4-yl)-1-N-(4-methylphenyl)benzene-1,2-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

6-chloro-N-(3,4-dimethylphenyl)-2-ethylpyrimidin-4-amine
CID 80944911
6-chloro-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine
CID 114256298
6-chloro-2-ethyl-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
CID 80943528
6-chloro-2-ethyl-N-(4-fluoro-3-methylphenyl)pyrimidin-4-amine
CID 80936099
N-(6-chloro-2-ethylpyrimidin-4-yl)quinolin-6-amine
CID 80936805
6-chloro-2-ethyl-N-thiophen-3-ylpyrimidin-4-amine
CID 80936731
N-(2-chlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80938024
N-(2-bromo-4-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine
CID 80943383
6-chloro-N-(2-propan-2-ylphenyl)-2-propylpyrimidin-4-amine
CID 80939396
N-(5-bromo-2-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine
CID 80936781
6-chloro-N-(2-chloro-5-methoxyphenyl)-2-ethylpyrimidin-4-amine
CID 80935640
6-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-ethylpyrimidin-4-amine
CID 80944024

Frequently Asked Questions

What is the IUPAC name of 2-N-(6-chloro-2-ethylpyrimidin-4-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine?
The IUPAC name of 2-N-(6-chloro-2-ethylpyrimidin-4-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine (CID 108778186) is 2-N-(6-chloro-2-ethylpyrimidin-4-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(6-chloro-2-ethylpyrimidin-4-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(6-chloro-2-ethylpyrimidin-4-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine is CCc1nc(Cl)cc(Nc2ccccc2Nc2ccc(C)cc2)n1.
What is the InChIKey of 2-N-(6-chloro-2-ethylpyrimidin-4-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine?
The InChIKey is FTBZEPPGKWDGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4/c1-3-18-23-17(20)12-19(24-18)22-16-7-5-4-6-15(16)21-14-10-8-13(2)9-11-14/h4-12,21H,3H2,1-2H3,(H,22,23,24).
What are the key properties of 2-N-(6-chloro-2-ethylpyrimidin-4-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine?
2-N-(6-chloro-2-ethylpyrimidin-4-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine has a molecular weight of 338.84 g/mol, XLogP of 5.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(6-chloro-2-ethylpyrimidin-4-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 108778186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).