2-chloro-4-N-(2,4-dichlorophenyl)-6-methylpyrimidine-4,5-diamine

C11H9Cl3N4 — CID 114043547

IUPAC2-chloro-4-N-(2,4-dichlorophenyl)-6-methylpyrimidine-4,5-diamine
SMILESCc1nc(Cl)nc(Nc2ccc(Cl)cc2Cl)c1N
InChIInChI=1S/C11H9Cl3N4/c1-5-9(15)10(18-11(14)16-5)17-8-3-2-6(12)4-7(8)13/h2-4H,15H2,1H3,(H,16,17,18)
InChIKeyIRKINMTVNDIKSV-UHFFFAOYSA-N
MW303.58 g/mol
LogP4.07
Rot. Bonds2

About 2-chloro-4-N-(2,4-dichlorophenyl)-6-methylpyrimidine-4,5-diamine

2-chloro-4-N-(2,4-dichlorophenyl)-6-methylpyrimidine-4,5-diamine (PubChem CID 114043547) has the molecular formula C11H9Cl3N4 and a molecular weight of 303.58 g/mol. Its IUPAC name is 2-chloro-4-N-(2,4-dichlorophenyl)-6-methylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-chloro-4-N-(2,4-dichlorophenyl)-6-methylpyrimidine-4,5-diamine
PubChem CID114043547
Molecular FormulaC11H9Cl3N4
Molecular Weight303.58 g/mol
Exact Mass301.99
IUPAC Name2-chloro-4-N-(2,4-dichlorophenyl)-6-methylpyrimidine-4,5-diamine
SMILESCc1nc(Cl)nc(Nc2ccc(Cl)cc2Cl)c1N
InChIInChI=1S/C11H9Cl3N4/c1-5-9(15)10(18-11(14)16-5)17-8-3-2-6(12)4-7(8)13/h2-4H,15H2,1H3,(H,16,17,18)
InChIKeyIRKINMTVNDIKSV-UHFFFAOYSA-N
XLogP4.07
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.58
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-N-(2,4-dichlorophenyl)-6-methylpyrimidine-4,5-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

2-chloro-N-(2,4-dichlorophenyl)quinazolin-4-amine
CID 22692895
5-chloro-4-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 80759585
6-N-(2,4-dichlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544993
4-N-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80975992
2-chloro-N-(2,4-dichlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 114268170
6-N-(2,4-dichlorophenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541920
4-N-(2,4-dichlorophenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80759587
4-N-(2,4-dichlorophenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80921104
6-N-(2,4-dichlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142724
4-N-cyclopentyl-6-N-(2,4-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19149855
2-N-(2-bromo-4-chlorophenyl)-6-methylpyridine-2,3-diamine
CID 81263123
6-N-(2,4-dichlorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 19144482

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-(2,4-dichlorophenyl)-6-methylpyrimidine-4,5-diamine?
The IUPAC name of 2-chloro-4-N-(2,4-dichlorophenyl)-6-methylpyrimidine-4,5-diamine (CID 114043547) is 2-chloro-4-N-(2,4-dichlorophenyl)-6-methylpyrimidine-4,5-diamine.
What is the SMILES notation for 2-chloro-4-N-(2,4-dichlorophenyl)-6-methylpyrimidine-4,5-diamine?
The canonical SMILES for 2-chloro-4-N-(2,4-dichlorophenyl)-6-methylpyrimidine-4,5-diamine is Cc1nc(Cl)nc(Nc2ccc(Cl)cc2Cl)c1N.
What is the InChIKey of 2-chloro-4-N-(2,4-dichlorophenyl)-6-methylpyrimidine-4,5-diamine?
The InChIKey is IRKINMTVNDIKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl3N4/c1-5-9(15)10(18-11(14)16-5)17-8-3-2-6(12)4-7(8)13/h2-4H,15H2,1H3,(H,16,17,18).
What are the key properties of 2-chloro-4-N-(2,4-dichlorophenyl)-6-methylpyrimidine-4,5-diamine?
2-chloro-4-N-(2,4-dichlorophenyl)-6-methylpyrimidine-4,5-diamine has a molecular weight of 303.58 g/mol, XLogP of 4.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-(2,4-dichlorophenyl)-6-methylpyrimidine-4,5-diamine is sourced from PubChem (CID 114043547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).