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

C17H12Cl2F2N4 — CID 112932200

IUPAC4-N-(2,4-dichlorophenyl)-2-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(Cl)cc2Cl)nc(Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C17H12Cl2F2N4/c1-9-6-16(24-15-5-2-10(18)7-12(15)19)25-17(22-9)23-11-3-4-13(20)14(21)8-11/h2-8H,1H3,(H2,22,23,24,25)
InChIKeyLFPFXLLXXNPPSP-UHFFFAOYSA-N
MW381.21 g/mol
LogP5.86
Rot. Bonds4

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

4-N-(2,4-dichlorophenyl)-2-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112932200) has the molecular formula C17H12Cl2F2N4 and a molecular weight of 381.21 g/mol. Its IUPAC name is 4-N-(2,4-dichlorophenyl)-2-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,4-dichlorophenyl)-2-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112932200
Molecular FormulaC17H12Cl2F2N4
Molecular Weight381.21 g/mol
Exact Mass380.04
IUPAC Name4-N-(2,4-dichlorophenyl)-2-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(Cl)cc2Cl)nc(Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C17H12Cl2F2N4/c1-9-6-16(24-15-5-2-10(18)7-12(15)19)25-17(22-9)23-11-3-4-13(20)14(21)8-11/h2-8H,1H3,(H2,22,23,24,25)
InChIKeyLFPFXLLXXNPPSP-UHFFFAOYSA-N
XLogP5.86
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.21
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(4-chlorophenyl)-4-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929886
2-N-(3-chloro-4-methylphenyl)-4-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112930142
4-N-(2,4-dichlorophenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112926979
4-N-(3-chloro-4-methylphenyl)-2-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112930110
2-N-(3-chloro-4-fluorophenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929302
2-N-(3,4-dichlorophenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112932110
4-N-(3-chloro-4-methylphenyl)-6-methyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112930108
4-[[4-(3,4-difluoroanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112932339
2-N-(3-bromophenyl)-4-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112931959
2-N-(2-bromophenyl)-4-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112931941
2-N-(1,3-benzodioxol-5-yl)-4-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112932026
4-N-(3-chloro-4-fluorophenyl)-2-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112930165

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dichlorophenyl)-2-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,4-dichlorophenyl)-2-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine (CID 112932200) is 4-N-(2,4-dichlorophenyl)-2-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,4-dichlorophenyl)-2-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,4-dichlorophenyl)-2-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine is Cc1cc(Nc2ccc(Cl)cc2Cl)nc(Nc2ccc(F)c(F)c2)n1.
What is the InChIKey of 4-N-(2,4-dichlorophenyl)-2-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is LFPFXLLXXNPPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2F2N4/c1-9-6-16(24-15-5-2-10(18)7-12(15)19)25-17(22-9)23-11-3-4-13(20)14(21)8-11/h2-8H,1H3,(H2,22,23,24,25).
What are the key properties of 4-N-(2,4-dichlorophenyl)-2-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine?
4-N-(2,4-dichlorophenyl)-2-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 381.21 g/mol, XLogP of 5.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dichlorophenyl)-2-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112932200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).