4-N-(4-chloro-2-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine

C12H12ClFN4 — CID 80800229

IUPAC4-N-(4-chloro-2-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(Nc2ccc(Cl)cc2F)n1
InChIInChI=1S/C12H12ClFN4/c1-7-6-16-12(15-2)18-11(7)17-10-4-3-8(13)5-9(10)14/h3-6H,1-2H3,(H2,15,16,17,18)
InChIKeyRTNHPNXUNKCGMY-UHFFFAOYSA-N
MW266.71 g/mol
LogP3.36
Rot. Bonds3

About 4-N-(4-chloro-2-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine

4-N-(4-chloro-2-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine (PubChem CID 80800229) has the molecular formula C12H12ClFN4 and a molecular weight of 266.71 g/mol. Its IUPAC name is 4-N-(4-chloro-2-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-chloro-2-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
PubChem CID80800229
Molecular FormulaC12H12ClFN4
Molecular Weight266.71 g/mol
Exact Mass266.07
IUPAC Name4-N-(4-chloro-2-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(Nc2ccc(Cl)cc2F)n1
InChIInChI=1S/C12H12ClFN4/c1-7-6-16-12(15-2)18-11(7)17-10-4-3-8(13)5-9(10)14/h3-6H,1-2H3,(H2,15,16,17,18)
InChIKeyRTNHPNXUNKCGMY-UHFFFAOYSA-N
XLogP3.36
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.71
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(4-chloro-2-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-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-5-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 107531896
4-N-(3-chlorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80761118
5-chloro-4-N-(2-fluoro-5-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80755789
5-bromo-4-N-(2,4-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80759983
4-N-(4-methoxy-2-methylphenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80824828
4-N-(4-bromo-2,6-difluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80846756
5-chloro-4-N-(4-chloro-2-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80800384
4-N-(2-fluoro-4-methylphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80754909
5-fluoro-2-N-methyl-4-N-(2,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80824444
4-N-(4-bromo-2-methylphenyl)-5-chloro-2-N-methylpyrimidine-2,4-diamine
CID 80759455
3-bromo-4-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]benzonitrile
CID 107795234
2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-methylpyrimidin-4-amine
CID 103586890

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chloro-2-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-chloro-2-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine (CID 80800229) is 4-N-(4-chloro-2-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-chloro-2-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-chloro-2-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine is CNc1ncc(C)c(Nc2ccc(Cl)cc2F)n1.
What is the InChIKey of 4-N-(4-chloro-2-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine?
The InChIKey is RTNHPNXUNKCGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN4/c1-7-6-16-12(15-2)18-11(7)17-10-4-3-8(13)5-9(10)14/h3-6H,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-N-(4-chloro-2-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine?
4-N-(4-chloro-2-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine has a molecular weight of 266.71 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chloro-2-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80800229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).