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

C18H15ClF2N4 — CID 112930110

IUPAC4-N-(3-chloro-4-methylphenyl)-2-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(C)c(Cl)c2)nc(Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C18H15ClF2N4/c1-10-3-4-12(8-14(10)19)23-17-7-11(2)22-18(25-17)24-13-5-6-15(20)16(21)9-13/h3-9H,1-2H3,(H2,22,23,24,25)
InChIKeyWXJDXZHKGZIEAD-UHFFFAOYSA-N
MW360.80 g/mol
LogP5.51
Rot. Bonds4

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

4-N-(3-chloro-4-methylphenyl)-2-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112930110) has the molecular formula C18H15ClF2N4 and a molecular weight of 360.80 g/mol. Its IUPAC name is 4-N-(3-chloro-4-methylphenyl)-2-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-4-methylphenyl)-2-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112930110
Molecular FormulaC18H15ClF2N4
Molecular Weight360.80 g/mol
Exact Mass360.10
IUPAC Name4-N-(3-chloro-4-methylphenyl)-2-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(C)c(Cl)c2)nc(Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C18H15ClF2N4/c1-10-3-4-12(8-14(10)19)23-17-7-11(2)22-18(25-17)24-13-5-6-15(20)16(21)9-13/h3-9H,1-2H3,(H2,22,23,24,25)
InChIKeyWXJDXZHKGZIEAD-UHFFFAOYSA-N
XLogP5.51
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.80
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3-chloro-4-methylphenyl)-4-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112930142
2-N-(4-chlorophenyl)-4-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929886
4-N-(3-chloro-4-methylphenyl)-6-methyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112930108
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-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930113
4-N-(3-chloro-4-fluorophenyl)-2-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112930165
4-N-(3-chloro-4-methylphenyl)-2-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917412
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-(3-chloro-4-methylphenyl)-4-N-cyclopropyl-6-methylpyrimidine-2,4-diamine
CID 112907475
2-N-(3-chloro-4-fluorophenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929302
4-N-(3-chloro-4-methylphenyl)-2-N-cyclopropyl-6-methylpyrimidine-2,4-diamine
CID 112907619

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-methylphenyl)-2-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-chloro-4-methylphenyl)-2-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine (CID 112930110) is 4-N-(3-chloro-4-methylphenyl)-2-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-chloro-4-methylphenyl)-2-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-chloro-4-methylphenyl)-2-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine is Cc1cc(Nc2ccc(C)c(Cl)c2)nc(Nc2ccc(F)c(F)c2)n1.
What is the InChIKey of 4-N-(3-chloro-4-methylphenyl)-2-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is WXJDXZHKGZIEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2N4/c1-10-3-4-12(8-14(10)19)23-17-7-11(2)22-18(25-17)24-13-5-6-15(20)16(21)9-13/h3-9H,1-2H3,(H2,22,23,24,25).
What are the key properties of 4-N-(3-chloro-4-methylphenyl)-2-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine?
4-N-(3-chloro-4-methylphenyl)-2-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 360.80 g/mol, XLogP of 5.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-methylphenyl)-2-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112930110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).