2-N-(2,6-difluorophenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine

C18H16F2N4 — CID 112927396

IUPAC2-N-(2,6-difluorophenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2cc(C)nc(Nc3c(F)cccc3F)n2)cc1
InChIInChI=1S/C18H16F2N4/c1-11-6-8-13(9-7-11)22-16-10-12(2)21-18(23-16)24-17-14(19)4-3-5-15(17)20/h3-10H,1-2H3,(H2,21,22,23,24)
InChIKeyJGGVEYSUJMRATD-UHFFFAOYSA-N
MW326.35 g/mol
LogP4.86
Rot. Bonds4

About 2-N-(2,6-difluorophenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine

2-N-(2,6-difluorophenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 112927396) has the molecular formula C18H16F2N4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-N-(2,6-difluorophenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,6-difluorophenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
PubChem CID112927396
Molecular FormulaC18H16F2N4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name2-N-(2,6-difluorophenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2cc(C)nc(Nc3c(F)cccc3F)n2)cc1
InChIInChI=1S/C18H16F2N4/c1-11-6-8-13(9-7-11)22-16-10-12(2)21-18(23-16)24-17-14(19)4-3-5-15(17)20/h3-10H,1-2H3,(H2,21,22,23,24)
InChIKeyJGGVEYSUJMRATD-UHFFFAOYSA-N
XLogP4.86
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-(2,6-difluoroanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112931553
4-N-(3,5-dichlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112932223
6-methyl-2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927319
4-N-(2,6-difluorophenyl)-2-N-(3,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928360
methyl 4-[[2-(2,6-difluoroanilino)-6-methylpyrimidin-4-yl]amino]benzoate
CID 112931655
4-N-(3-chlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929739
N-[4-[[4-(2,6-difluoroanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112931571
6-methyl-4-N-(3-methylphenyl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927157
4-N-(3-chloro-4-methoxyphenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112930282
N-(2,6-difluorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80921095
4-N-(4-chlorophenyl)-2-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928418
2-N-(2,6-difluorophenyl)-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928610

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-difluorophenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2,6-difluorophenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine (CID 112927396) is 2-N-(2,6-difluorophenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2,6-difluorophenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2,6-difluorophenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine is Cc1ccc(Nc2cc(C)nc(Nc3c(F)cccc3F)n2)cc1.
What is the InChIKey of 2-N-(2,6-difluorophenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is JGGVEYSUJMRATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4/c1-11-6-8-13(9-7-11)22-16-10-12(2)21-18(23-16)24-17-14(19)4-3-5-15(17)20/h3-10H,1-2H3,(H2,21,22,23,24).
What are the key properties of 2-N-(2,6-difluorophenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
2-N-(2,6-difluorophenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 326.35 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-difluorophenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112927396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).