4-N-(4-chlorophenyl)-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-[2-(methoxymethyl)benzimidazol-1-yl]pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methylphenyl)pyrimidine-4,6-diamine

C76H59ClF12N24O3 — CID 163578562

IUPAC4-N-(4-chlorophenyl)-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-[2-(methoxymethyl)benzimidazol-1-yl]pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
SMILESCOCc1nc2ccccc2n1-c1nc(N)c(F)c(Nc2ccc(OC(F)F)cc2)n1.COc1ccc(Nc2nc(-n3c(C)nc4cc(F)c(F)cc43)nc(N)c2F)cc1.Cc1ccc(Nc2nc(-n3c(C)nc4cc(F)c(F)cc43)nc(N)c2F)cc1.Cc1nc2cc(F)c(F)cc2n1-c1nc(N)c(F)c(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H17F3N6O2.C19H15F3N6O.C19H15F3N6.C18H12ClF3N6/c1-30-10-15-26-13-4-2-3-5-14(13)29(15)20-27-17(24)16(21)18(28-20)25-11-6-8-12(9-7-11)31-19(22)23;1-9-24-14-7-12(20)13(21)8-15(14)28(9)19-26-17(23)16(22)18(27-19)25-10-3-5-11(29-2)6-4-10;1-9-3-5-11(6-4-9)25-18-16(22)17(23)26-19(27-18)28-10(2)24-14-7-12(20)13(21)8-15(14)28;1-8-24-13-6-11(20)12(21)7-14(13)28(8)18-26-16(23)15(22)17(27-18)25-10-4-2-9(19)3-5-10/h2-9,19H,10H2,1H3,(H3,24,25,27,28);3-8H,1-2H3,(H3,23,25,26,27);3-8H,1-2H3,(H3,23,25,26,27);2-7H,1H3,(H3,23,25,26,27)
InChIKeyGFPPBWLGHRQANW-UHFFFAOYSA-N
MW1619.90 g/mol
LogP16.60
Rot. Bonds17

About 4-N-(4-chlorophenyl)-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-[2-(methoxymethyl)benzimidazol-1-yl]pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methylphenyl)pyrimidine-4,6-diamine

4-N-(4-chlorophenyl)-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-[2-(methoxymethyl)benzimidazol-1-yl]pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methylphenyl)pyrimidine-4,6-diamine (PubChem CID 163578562) has the molecular formula C76H59ClF12N24O3 and a molecular weight of 1619.90 g/mol. Its IUPAC name is 4-N-(4-chlorophenyl)-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-[2-(methoxymethyl)benzimidazol-1-yl]pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-chlorophenyl)-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-[2-(methoxymethyl)benzimidazol-1-yl]pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
PubChem CID163578562
Molecular FormulaC76H59ClF12N24O3
Molecular Weight1619.90 g/mol
Exact Mass1618.47
IUPAC Name4-N-(4-chlorophenyl)-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-[2-(methoxymethyl)benzimidazol-1-yl]pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
SMILESCOCc1nc2ccccc2n1-c1nc(N)c(F)c(Nc2ccc(OC(F)F)cc2)n1.COc1ccc(Nc2nc(-n3c(C)nc4cc(F)c(F)cc43)nc(N)c2F)cc1.Cc1ccc(Nc2nc(-n3c(C)nc4cc(F)c(F)cc43)nc(N)c2F)cc1.Cc1nc2cc(F)c(F)cc2n1-c1nc(N)c(F)c(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H17F3N6O2.C19H15F3N6O.C19H15F3N6.C18H12ClF3N6/c1-30-10-15-26-13-4-2-3-5-14(13)29(15)20-27-17(24)16(21)18(28-20)25-11-6-8-12(9-7-11)31-19(22)23;1-9-24-14-7-12(20)13(21)8-15(14)28(9)19-26-17(23)16(22)18(27-19)25-10-3-5-11(29-2)6-4-10;1-9-3-5-11(6-4-9)25-18-16(22)17(23)26-19(27-18)28-10(2)24-14-7-12(20)13(21)8-15(14)28;1-8-24-13-6-11(20)12(21)7-14(13)28(8)18-26-16(23)15(22)17(27-18)25-10-4-2-9(19)3-5-10/h2-9,19H,10H2,1H3,(H3,24,25,27,28);3-8H,1-2H3,(H3,23,25,26,27);3-8H,1-2H3,(H3,23,25,26,27);2-7H,1H3,(H3,23,25,26,27)
InChIKeyGFPPBWLGHRQANW-UHFFFAOYSA-N
XLogP16.60
TPSA354.29 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds17
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001619.90
LogP ≤ 516.60
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Analyze 4-N-(4-chlorophenyl)-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-[2-(methoxymethyl)benzimidazol-1-yl]pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methylphenyl)pyrimidine-4,6-diamine with MolForge

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Related Compounds

2-(6-amino-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;2-(6-amino-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methylphenyl)pyrimidine-4,6-diamine;4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine
CID 163785340
4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(6-isocyano-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-isocyano-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-isocyano-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-[2-(methoxymethyl)benzimidazol-1-yl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 160819705
4-N-(4-chlorophenyl)-2-(2-ethylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine
CID 90177222
5-fluoro-2-[2-(methoxymethyl)benzimidazol-1-yl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 161274052
2-(6-amino-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
CID 90182221
2-(2-ethylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;2-(2-ethylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 159358946
5-fluoro-4-N-(3-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine
CID 90178193
2-(2-cyclopropylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine
CID 160660263
[3-[4-amino-6-[4-(difluoromethoxy)anilino]-5-fluoropyrimidin-2-yl]-5-fluoropyrazolo[1,5-a]pyridin-2-yl]methanol;4-N-(4-chlorophenyl)-5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4,6-diamine;2-(2-methylsulfanylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 159001930
5-fluoro-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 74766646
3-[4-amino-5-fluoro-6-(4-methylanilino)pyrimidin-2-yl]-2-methylbenzimidazole-5-carbonitrile
CID 90177114
[1-[4-amino-5-fluoro-6-(4-methoxyanilino)pyrimidin-2-yl]-2-methylbenzimidazol-5-yl]-methoxy-oxoazanium
CID 123547631

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chlorophenyl)-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-[2-(methoxymethyl)benzimidazol-1-yl]pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-chlorophenyl)-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-[2-(methoxymethyl)benzimidazol-1-yl]pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methylphenyl)pyrimidine-4,6-diamine (CID 163578562) is 4-N-(4-chlorophenyl)-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-[2-(methoxymethyl)benzimidazol-1-yl]pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-chlorophenyl)-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-[2-(methoxymethyl)benzimidazol-1-yl]pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-chlorophenyl)-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-[2-(methoxymethyl)benzimidazol-1-yl]pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methylphenyl)pyrimidine-4,6-diamine is COCc1nc2ccccc2n1-c1nc(N)c(F)c(Nc2ccc(OC(F)F)cc2)n1.COc1ccc(Nc2nc(-n3c(C)nc4cc(F)c(F)cc43)nc(N)c2F)cc1.Cc1ccc(Nc2nc(-n3c(C)nc4cc(F)c(F)cc43)nc(N)c2F)cc1.Cc1nc2cc(F)c(F)cc2n1-c1nc(N)c(F)c(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 4-N-(4-chlorophenyl)-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-[2-(methoxymethyl)benzimidazol-1-yl]pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methylphenyl)pyrimidine-4,6-diamine?
The InChIKey is GFPPBWLGHRQANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N6O2.C19H15F3N6O.C19H15F3N6.C18H12ClF3N6/c1-30-10-15-26-13-4-2-3-5-14(13)29(15)20-27-17(24)16(21)18(28-20)25-11-6-8-12(9-7-11)31-19(22)23;1-9-24-14-7-12(20)13(21)8-15(14)28(9)19-26-17(23)16(22)18(27-19)25-10-3-5-11(29-2)6-4-10;1-9-3-5-11(6-4-9)25-18-16(22)17(23)26-19(27-18)28-10(2)24-14-7-12(20)13(21)8-15(14)28;1-8-24-13-6-11(20)12(21)7-14(13)28(8)18-26-16(23)15(22)17(27-18)25-10-4-2-9(19)3-5-10/h2-9,19H,10H2,1H3,(H3,24,25,27,28);3-8H,1-2H3,(H3,23,25,26,27);3-8H,1-2H3,(H3,23,25,26,27);2-7H,1H3,(H3,23,25,26,27).
What are the key properties of 4-N-(4-chlorophenyl)-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-[2-(methoxymethyl)benzimidazol-1-yl]pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methylphenyl)pyrimidine-4,6-diamine?
4-N-(4-chlorophenyl)-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-[2-(methoxymethyl)benzimidazol-1-yl]pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methylphenyl)pyrimidine-4,6-diamine has a molecular weight of 1619.90 g/mol, XLogP of 16.60, 17 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chlorophenyl)-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-[2-(methoxymethyl)benzimidazol-1-yl]pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 163578562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).