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

C17H12Cl2F2N4 — CID 112932223

IUPAC4-N-(3,5-dichlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cc(Cl)cc(Cl)c2)nc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C17H12Cl2F2N4/c1-9-5-15(23-12-7-10(18)6-11(19)8-12)24-17(22-9)25-16-13(20)3-2-4-14(16)21/h2-8H,1H3,(H2,22,23,24,25)
InChIKeyLJMNKPNAYKMLCL-UHFFFAOYSA-N
MW381.21 g/mol
LogP5.86
Rot. Bonds4

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

4-N-(3,5-dichlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112932223) has the molecular formula C17H12Cl2F2N4 and a molecular weight of 381.21 g/mol. Its IUPAC name is 4-N-(3,5-dichlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,5-dichlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112932223
Molecular FormulaC17H12Cl2F2N4
Molecular Weight381.21 g/mol
Exact Mass380.04
IUPAC Name4-N-(3,5-dichlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cc(Cl)cc(Cl)c2)nc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C17H12Cl2F2N4/c1-9-5-15(23-12-7-10(18)6-11(19)8-12)24-17(22-9)25-16-13(20)3-2-4-14(16)21/h2-8H,1H3,(H2,22,23,24,25)
InChIKeyLJMNKPNAYKMLCL-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

4-N-(3-chlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929739
2-N-(2,6-difluorophenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927396
4-N-(2,6-difluorophenyl)-2-N-(3,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928360
4-N-(3-chloro-4-methoxyphenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112930282
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-(4-chlorophenyl)-2-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928418
5-N-(3,5-dichlorophenyl)-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112969577
N-(2,6-difluorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80921095
methyl 4-[[2-(2,6-difluoroanilino)-6-methylpyrimidin-4-yl]amino]benzoate
CID 112931655
2-N-[2-(3-chlorophenyl)ethyl]-4-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112926552
2-N-(4-chlorophenyl)-4-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929886

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dichlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3,5-dichlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine (CID 112932223) is 4-N-(3,5-dichlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3,5-dichlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3,5-dichlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine is Cc1cc(Nc2cc(Cl)cc(Cl)c2)nc(Nc2c(F)cccc2F)n1.
What is the InChIKey of 4-N-(3,5-dichlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is LJMNKPNAYKMLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2F2N4/c1-9-5-15(23-12-7-10(18)6-11(19)8-12)24-17(22-9)25-16-13(20)3-2-4-14(16)21/h2-8H,1H3,(H2,22,23,24,25).
What are the key properties of 4-N-(3,5-dichlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine?
4-N-(3,5-dichlorophenyl)-2-N-(2,6-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-(3,5-dichlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112932223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).