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

C17H13ClF2N4 — CID 112929302

IUPAC2-N-(3-chloro-4-fluorophenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccccc2F)nc(Nc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C17H13ClF2N4/c1-10-8-16(23-15-5-3-2-4-14(15)20)24-17(21-10)22-11-6-7-13(19)12(18)9-11/h2-9H,1H3,(H2,21,22,23,24)
InChIKeyFAWWJJSHRSFQGF-UHFFFAOYSA-N
MW346.77 g/mol
LogP5.20
Rot. Bonds4

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

2-N-(3-chloro-4-fluorophenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112929302) has the molecular formula C17H13ClF2N4 and a molecular weight of 346.77 g/mol. Its IUPAC name is 2-N-(3-chloro-4-fluorophenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-chloro-4-fluorophenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112929302
Molecular FormulaC17H13ClF2N4
Molecular Weight346.77 g/mol
Exact Mass346.08
IUPAC Name2-N-(3-chloro-4-fluorophenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccccc2F)nc(Nc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C17H13ClF2N4/c1-10-8-16(23-15-5-3-2-4-14(15)20)24-17(21-10)22-11-6-7-13(19)12(18)9-11/h2-9H,1H3,(H2,21,22,23,24)
InChIKeyFAWWJJSHRSFQGF-UHFFFAOYSA-N
XLogP5.20
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.77
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-(3-chloro-4-fluorophenyl)-4-N-(2-fluorophenyl)-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

4-N-(3,4-dichlorophenyl)-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929426
2-N-(4-bromo-3-methylphenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929342
2-N-(3,4-dichlorophenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112932110
4-N-(3-chloro-4-fluorophenyl)-2-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112930165
4-N-(2-fluorophenyl)-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112927092
2-N-(1,3-benzodioxol-5-yl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929343
4-N-(2,4-dichlorophenyl)-2-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112932200
2-N-(3-chloro-4-methylphenyl)-4-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112930142
4-N-(3-chloro-4-methylphenyl)-2-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112930110
3-[[4-(3-chloro-4-fluoroanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112930175
3-[[2-(3-chloro-4-fluoroanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112930211
2-N-(3-chloro-4-fluorophenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920099

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-4-fluorophenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3-chloro-4-fluorophenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine (CID 112929302) is 2-N-(3-chloro-4-fluorophenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3-chloro-4-fluorophenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3-chloro-4-fluorophenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine is Cc1cc(Nc2ccccc2F)nc(Nc2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 2-N-(3-chloro-4-fluorophenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is FAWWJJSHRSFQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF2N4/c1-10-8-16(23-15-5-3-2-4-14(15)20)24-17(21-10)22-11-6-7-13(19)12(18)9-11/h2-9H,1H3,(H2,21,22,23,24).
What are the key properties of 2-N-(3-chloro-4-fluorophenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
2-N-(3-chloro-4-fluorophenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 346.77 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chloro-4-fluorophenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112929302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).