4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine

C73H56Cl3F7N24 — CID 163537959

IUPAC4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
SMILESCc1ccc(Nc2cc(N)nc(-n3c(C)nc4ccc(F)cc43)n2)cc1.Cc1nc2ccc(F)cc2n1-c1nc(N)c(F)c(Nc2ccc(Cl)c(F)c2)n1.Cc1nc2ccc(F)cc2n1-c1nc(N)cc(Nc2ccc(Cl)cc2)n1.Cc1nc2ccccc2n1-c1nc(N)c(F)c(Nc2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C19H17FN6.C18H12ClF3N6.C18H13ClF2N6.C18H14ClFN6/c1-11-3-6-14(7-4-11)23-18-10-17(21)24-19(25-18)26-12(2)22-15-8-5-13(20)9-16(15)26;1-8-24-13-5-2-9(20)6-14(13)28(8)18-26-16(23)15(22)17(27-18)25-10-3-4-11(19)12(21)7-10;1-9-23-13-4-2-3-5-14(13)27(9)18-25-16(22)15(21)17(26-18)24-10-6-7-11(19)12(20)8-10;1-10-22-14-7-4-12(20)8-15(14)26(10)18-24-16(21)9-17(25-18)23-13-5-2-11(19)3-6-13/h3-10H,1-2H3,(H3,21,23,24,25);2-7H,1H3,(H3,23,25,26,27);2-8H,1H3,(H3,22,24,25,26);2-9H,1H3,(H3,21,23,24,25)
InChIKeyDYPYMRFUFBVXAY-UHFFFAOYSA-N
MW1508.76 g/mol
LogP17.04
Rot. Bonds12

About 4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine

4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine (PubChem CID 163537959) has the molecular formula C73H56Cl3F7N24 and a molecular weight of 1508.76 g/mol. Its IUPAC name is 4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
PubChem CID163537959
Molecular FormulaC73H56Cl3F7N24
Molecular Weight1508.76 g/mol
Exact Mass1506.41
IUPAC Name4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
SMILESCc1ccc(Nc2cc(N)nc(-n3c(C)nc4ccc(F)cc43)n2)cc1.Cc1nc2ccc(F)cc2n1-c1nc(N)c(F)c(Nc2ccc(Cl)c(F)c2)n1.Cc1nc2ccc(F)cc2n1-c1nc(N)cc(Nc2ccc(Cl)cc2)n1.Cc1nc2ccccc2n1-c1nc(N)c(F)c(Nc2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C19H17FN6.C18H12ClF3N6.C18H13ClF2N6.C18H14ClFN6/c1-11-3-6-14(7-4-11)23-18-10-17(21)24-19(25-18)26-12(2)22-15-8-5-13(20)9-16(15)26;1-8-24-13-5-2-9(20)6-14(13)28(8)18-26-16(23)15(22)17(27-18)25-10-3-4-11(19)12(21)7-10;1-9-23-13-4-2-3-5-14(13)27(9)18-25-16(22)15(21)17(26-18)24-10-6-7-11(19)12(20)8-10;1-10-22-14-7-4-12(20)8-15(14)26(10)18-24-16(21)9-17(25-18)23-13-5-2-11(19)3-6-13/h3-10H,1-2H3,(H3,21,23,24,25);2-7H,1H3,(H3,23,25,26,27);2-8H,1H3,(H3,22,24,25,26);2-9H,1H3,(H3,21,23,24,25)
InChIKeyDYPYMRFUFBVXAY-UHFFFAOYSA-N
XLogP17.04
TPSA326.60 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001508.76
LogP ≤ 517.04
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze 4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine with MolForge

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Related Compounds

2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 74766711
2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 74766713
2-(6-chloro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 90177924
2-(5-chloro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 90178404
6-(5-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118094765
2-Phenyl-1-[2,3,6-tris(2-phenylbenzimidazol-1-yl)-5-(trifluoromethyl)pyridin-4-yl]benzimidazole
CID 134169868
2-Phenyl-1-[2,5,6-tris(2-phenylbenzimidazol-1-yl)-4-(trifluoromethyl)pyridin-3-yl]benzimidazole
CID 134169884
5-fluoro-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 154975212
bis(6-chloro-2-[(1S)-1-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propyl]-1H-benzimidazole);bis(6-chloro-2-[(1R)-1-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propyl]-1H-benzimidazole)
CID 157224700
4-(6-chloro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 157269823
2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-ethyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 157603757
6-(5-chloro-2-ethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-chloro-2-ethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 157713771

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine (CID 163537959) is 4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine is Cc1ccc(Nc2cc(N)nc(-n3c(C)nc4ccc(F)cc43)n2)cc1.Cc1nc2ccc(F)cc2n1-c1nc(N)c(F)c(Nc2ccc(Cl)c(F)c2)n1.Cc1nc2ccc(F)cc2n1-c1nc(N)cc(Nc2ccc(Cl)cc2)n1.Cc1nc2ccccc2n1-c1nc(N)c(F)c(Nc2ccc(Cl)c(F)c2)n1.
What is the InChIKey of 4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine?
The InChIKey is DYPYMRFUFBVXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6.C18H12ClF3N6.C18H13ClF2N6.C18H14ClFN6/c1-11-3-6-14(7-4-11)23-18-10-17(21)24-19(25-18)26-12(2)22-15-8-5-13(20)9-16(15)26;1-8-24-13-5-2-9(20)6-14(13)28(8)18-26-16(23)15(22)17(27-18)25-10-3-4-11(19)12(21)7-10;1-9-23-13-4-2-3-5-14(13)27(9)18-25-16(22)15(21)17(26-18)24-10-6-7-11(19)12(20)8-10;1-10-22-14-7-4-12(20)8-15(14)26(10)18-24-16(21)9-17(25-18)23-13-5-2-11(19)3-6-13/h3-10H,1-2H3,(H3,21,23,24,25);2-7H,1H3,(H3,23,25,26,27);2-8H,1H3,(H3,22,24,25,26);2-9H,1H3,(H3,21,23,24,25).
What are the key properties of 4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine?
4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine has a molecular weight of 1508.76 g/mol, XLogP of 17.04, 12 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 163537959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).