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

C18H15ClF2N4O — CID 112930282

IUPAC4-N-(3-chloro-4-methoxyphenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2cc(C)nc(Nc3c(F)cccc3F)n2)cc1Cl
InChIInChI=1S/C18H15ClF2N4O/c1-10-8-16(23-11-6-7-15(26-2)12(19)9-11)24-18(22-10)25-17-13(20)4-3-5-14(17)21/h3-9H,1-2H3,(H2,22,23,24,25)
InChIKeyACIXRLBMNIMSNC-UHFFFAOYSA-N
MW376.79 g/mol
LogP5.21
Rot. Bonds5

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

4-N-(3-chloro-4-methoxyphenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112930282) has the molecular formula C18H15ClF2N4O and a molecular weight of 376.79 g/mol. Its IUPAC name is 4-N-(3-chloro-4-methoxyphenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-4-methoxyphenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112930282
Molecular FormulaC18H15ClF2N4O
Molecular Weight376.79 g/mol
Exact Mass376.09
IUPAC Name4-N-(3-chloro-4-methoxyphenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2cc(C)nc(Nc3c(F)cccc3F)n2)cc1Cl
InChIInChI=1S/C18H15ClF2N4O/c1-10-8-16(23-11-6-7-15(26-2)12(19)9-11)24-18(22-10)25-17-13(20)4-3-5-14(17)21/h3-9H,1-2H3,(H2,22,23,24,25)
InChIKeyACIXRLBMNIMSNC-UHFFFAOYSA-N
XLogP5.21
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.79
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(3-chloro-4-methoxyphenyl)-4-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930286
4-N-(3-chlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929739
4-N-(3,5-dichlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112932223
2-N-(2,6-difluorophenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927396
N-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine
CID 734476
methyl 3-[[4-(3-chloro-4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]benzoate
CID 112930268
2-N-(2,6-difluorophenyl)-4-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112931156
methyl 4-[[2-(2,6-difluoroanilino)-6-methylpyrimidin-4-yl]amino]benzoate
CID 112931655
4-N-(3-chloro-4-methoxyphenyl)-2-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920891
4-N-(3,4-dichlorophenyl)-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929426
4-N-(3-chloro-4-methoxyphenyl)-2-N-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 112910612
N-[4-[[2-(2,6-difluoroanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112931553

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-methoxyphenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-chloro-4-methoxyphenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine (CID 112930282) is 4-N-(3-chloro-4-methoxyphenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-chloro-4-methoxyphenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-chloro-4-methoxyphenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine is COc1ccc(Nc2cc(C)nc(Nc3c(F)cccc3F)n2)cc1Cl.
What is the InChIKey of 4-N-(3-chloro-4-methoxyphenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is ACIXRLBMNIMSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2N4O/c1-10-8-16(23-11-6-7-15(26-2)12(19)9-11)24-18(22-10)25-17-13(20)4-3-5-14(17)21/h3-9H,1-2H3,(H2,22,23,24,25).
What are the key properties of 4-N-(3-chloro-4-methoxyphenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine?
4-N-(3-chloro-4-methoxyphenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 376.79 g/mol, XLogP of 5.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-methoxyphenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112930282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).