4-N-(2-chloro-3-methylphenyl)-5-methylpyrimidine-4,6-diamine

C12H13ClN4 — CID 114250669

IUPAC4-N-(2-chloro-3-methylphenyl)-5-methylpyrimidine-4,6-diamine
SMILESCc1cccc(Nc2ncnc(N)c2C)c1Cl
InChIInChI=1S/C12H13ClN4/c1-7-4-3-5-9(10(7)13)17-12-8(2)11(14)15-6-16-12/h3-6H,1-2H3,(H3,14,15,16,17)
InChIKeyBNTCSZPRBZMEHD-UHFFFAOYSA-N
MW248.72 g/mol
LogP3.07
Rot. Bonds2

About 4-N-(2-chloro-3-methylphenyl)-5-methylpyrimidine-4,6-diamine

4-N-(2-chloro-3-methylphenyl)-5-methylpyrimidine-4,6-diamine (PubChem CID 114250669) has the molecular formula C12H13ClN4 and a molecular weight of 248.72 g/mol. Its IUPAC name is 4-N-(2-chloro-3-methylphenyl)-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-chloro-3-methylphenyl)-5-methylpyrimidine-4,6-diamine
PubChem CID114250669
Molecular FormulaC12H13ClN4
Molecular Weight248.72 g/mol
Exact Mass248.08
IUPAC Name4-N-(2-chloro-3-methylphenyl)-5-methylpyrimidine-4,6-diamine
SMILESCc1cccc(Nc2ncnc(N)c2C)c1Cl
InChIInChI=1S/C12H13ClN4/c1-7-4-3-5-9(10(7)13)17-12-8(2)11(14)15-6-16-12/h3-6H,1-2H3,(H3,14,15,16,17)
InChIKeyBNTCSZPRBZMEHD-UHFFFAOYSA-N
XLogP3.07
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(2-chloro-3-methylphenyl)-5-methylpyrimidine-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-chloro-3-methylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23987495
4-N-(3-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80814540
4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19137100
4-N-(2-bromophenyl)-5-methylpyrimidine-4,6-diamine
CID 80760482
2-N-(2-chloro-3-methylphenyl)-3-methylpyridine-2,5-diamine
CID 114250638
N-(2,3-dichlorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80916872
6-N-(2-chlorophenyl)-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19143159
6-chloro-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 63734039
4-N-(2-chloro-5-fluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 107531796
4-N-(2,3-dimethylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80762317
4-N-(2,6-difluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 80754871
N-(3-chloro-2-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80928095

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-3-methylphenyl)-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-chloro-3-methylphenyl)-5-methylpyrimidine-4,6-diamine (CID 114250669) is 4-N-(2-chloro-3-methylphenyl)-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-chloro-3-methylphenyl)-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-chloro-3-methylphenyl)-5-methylpyrimidine-4,6-diamine is Cc1cccc(Nc2ncnc(N)c2C)c1Cl.
What is the InChIKey of 4-N-(2-chloro-3-methylphenyl)-5-methylpyrimidine-4,6-diamine?
The InChIKey is BNTCSZPRBZMEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4/c1-7-4-3-5-9(10(7)13)17-12-8(2)11(14)15-6-16-12/h3-6H,1-2H3,(H3,14,15,16,17).
What are the key properties of 4-N-(2-chloro-3-methylphenyl)-5-methylpyrimidine-4,6-diamine?
4-N-(2-chloro-3-methylphenyl)-5-methylpyrimidine-4,6-diamine has a molecular weight of 248.72 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chloro-3-methylphenyl)-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 114250669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).