4-N-(2,6-difluorophenyl)-2-N-(3,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine

C19H18F2N4 — CID 112928360

IUPAC4-N-(2,6-difluorophenyl)-2-N-(3,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(C)cc(Nc2nc(C)cc(Nc3c(F)cccc3F)n2)c1
InChIInChI=1S/C19H18F2N4/c1-11-7-12(2)9-14(8-11)23-19-22-13(3)10-17(25-19)24-18-15(20)5-4-6-16(18)21/h4-10H,1-3H3,(H2,22,23,24,25)
InChIKeyGDMZPTOSGJLLKD-UHFFFAOYSA-N
MW340.38 g/mol
LogP5.17
Rot. Bonds4

About 4-N-(2,6-difluorophenyl)-2-N-(3,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine

4-N-(2,6-difluorophenyl)-2-N-(3,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112928360) has the molecular formula C19H18F2N4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-N-(2,6-difluorophenyl)-2-N-(3,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,6-difluorophenyl)-2-N-(3,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112928360
Molecular FormulaC19H18F2N4
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name4-N-(2,6-difluorophenyl)-2-N-(3,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(C)cc(Nc2nc(C)cc(Nc3c(F)cccc3F)n2)c1
InChIInChI=1S/C19H18F2N4/c1-11-7-12(2)9-14(8-11)23-19-22-13(3)10-17(25-19)24-18-15(20)5-4-6-16(18)21/h4-10H,1-3H3,(H2,22,23,24,25)
InChIKeyGDMZPTOSGJLLKD-UHFFFAOYSA-N
XLogP5.17
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.38
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(2,6-difluorophenyl)-2-N-(3,5-dimethylphenyl)-6-methylpyrimidine-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

2-N-(2,6-difluorophenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927396
4-N-(3,5-dichlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112932223
N-(2,6-difluorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80921095
N-[4-[[4-(2,6-difluoroanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112931571
2-N-(3,5-dimethylphenyl)-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917253
4-N-(3-chlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929739
2-N-(4-chloro-2-methylphenyl)-4-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112930077
N-[4-[[2-(2,6-difluoroanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112931553
4-N-(2,6-dimethylphenyl)-2-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112928394
1-[3-[[2-(3,5-dimethylanilino)-6-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112928333
2-N-(2,6-difluorophenyl)-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928610
methyl 4-[[2-(2,6-difluoroanilino)-6-methylpyrimidin-4-yl]amino]benzoate
CID 112931655

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-difluorophenyl)-2-N-(3,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,6-difluorophenyl)-2-N-(3,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine (CID 112928360) is 4-N-(2,6-difluorophenyl)-2-N-(3,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,6-difluorophenyl)-2-N-(3,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,6-difluorophenyl)-2-N-(3,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine is Cc1cc(C)cc(Nc2nc(C)cc(Nc3c(F)cccc3F)n2)c1.
What is the InChIKey of 4-N-(2,6-difluorophenyl)-2-N-(3,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is GDMZPTOSGJLLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4/c1-11-7-12(2)9-14(8-11)23-19-22-13(3)10-17(25-19)24-18-15(20)5-4-6-16(18)21/h4-10H,1-3H3,(H2,22,23,24,25).
What are the key properties of 4-N-(2,6-difluorophenyl)-2-N-(3,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine?
4-N-(2,6-difluorophenyl)-2-N-(3,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 340.38 g/mol, XLogP of 5.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-difluorophenyl)-2-N-(3,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112928360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).