4-(2-chlorophenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-cyclopenta-1,3-dien-1-yl-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-(2-ethylphenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-(2-fluorophenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-[1-[1-[6-(methoxymethyl)-2-pyridinyl]ethyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]pyrazol-4-yl]-6-phenylpyrimidin-2-amine;tetrakis(4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine);4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-phenylpyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1H-pyrrol-3-yl)pyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-[2-(trifluoromethoxy)phenyl]pyrimidin-2-amine;methyl 6-[[4-[2-amino-6-(3-methylphenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-2-carboxylate

C288H279ClF4N98O16 — CID 164954778

IUPAC4-(2-chlorophenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-cyclopenta-1,3-dien-1-yl-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-(2-ethylphenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-(2-fluorophenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-[1-[1-[6-(methoxymethyl)-2-pyridinyl]ethyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]pyrazol-4-yl]-6-phenylpyrimidin-2-amine;tetrakis(4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine);4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-phenylpyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1H-pyrrol-3-yl)pyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-[2-(trifluoromethoxy)phenyl]pyrimidin-2-amine;methyl 6-[[4-[2-amino-6-(3-methylphenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-2-carboxylate
SMILESCCc1ccccc1-c1cc(-c2cn(Cc3cccc(COC)n3)nn2)nc(N)n1.COC(=O)c1cccc(Cn2cc(-c3cc(-c4cccc(C)c4)nc(N)n3)nn2)n1.COCc1cccc(C(C)n2cc(-c3cc(-c4cccc(C)c4)nc(N)n3)nn2)n1.COCc1cccc(Cn2cc(-c3cc(-c4cc[nH]c4)nc(N)n3)nn2)n1.COCc1cccc(Cn2cc(-c3cc(-c4cccc(C)c4)nc(N)n3)nn2)n1.COCc1cccc(Cn2cc(-c3cc(-c4cccc(C)c4)nc(N)n3)nn2)n1.COCc1cccc(Cn2cc(-c3cc(-c4cccc(C)c4)nc(N)n3)nn2)n1.COCc1cccc(Cn2cc(-c3cc(-c4cccc(C)c4)nc(N)n3)nn2)n1.COCc1cccc(Cn2cc(-c3cc(-c4ccccc4)nc(N)n3)cn2)n1.COCc1cccc(Cn2cc(-c3cc(-c4ccccc4)nc(N)n3)nn2)n1.COCc1cccc(Cn2cc(-c3cc(-c4ccccc4Cl)nc(N)n3)nn2)n1.COCc1cccc(Cn2cc(-c3cc(-c4ccccc4F)nc(N)n3)nn2)n1.COCc1cccc(Cn2cc(-c3cc(-c4ccccc4OC(F)(F)F)nc(N)n3)nn2)n1.COCc1cccc(Cn2cc(-c3cc(C4=CC=CC4)nc(N)n3)nn2)n1
InChIInChI=1S/2C22H23N7O.C21H18F3N7O2.C21H19N7O2.4C21H21N7O.C21H20N6O.C20H18ClN7O.C20H18FN7O.C20H19N7O.C19H19N7O.C18H18N8O/c1-14-6-4-7-16(10-14)19-11-20(26-22(23)25-19)21-12-29(28-27-21)15(2)18-9-5-8-17(24-18)13-30-3;1-3-15-7-4-5-10-18(15)19-11-20(26-22(23)25-19)21-13-29(28-27-21)12-16-8-6-9-17(24-16)14-30-2;1-32-12-14-6-4-5-13(26-14)10-31-11-18(29-30-31)17-9-16(27-20(25)28-17)15-7-2-3-8-19(15)33-21(22,23)24;1-13-5-3-6-14(9-13)17-10-18(25-21(22)24-17)19-12-28(27-26-19)11-15-7-4-8-16(23-15)20(29)30-2;4*1-14-5-3-6-15(9-14)18-10-19(25-21(22)24-18)20-12-28(27-26-20)11-16-7-4-8-17(23-16)13-29-2;1-28-14-18-9-5-8-17(24-18)13-27-12-16(11-23-27)20-10-19(25-21(22)26-20)15-6-3-2-4-7-15;2*1-29-12-14-6-4-5-13(23-14)10-28-11-19(26-27-28)18-9-17(24-20(22)25-18)15-7-2-3-8-16(15)21;1-28-13-16-9-5-8-15(22-16)11-27-12-19(25-26-27)18-10-17(23-20(21)24-18)14-6-3-2-4-7-14;1-27-12-15-8-4-7-14(21-15)10-26-11-18(24-25-26)17-9-16(22-19(20)23-17)13-5-2-3-6-13;1-27-11-14-4-2-3-13(21-14)9-26-10-17(24-25-26)16-7-15(22-18(19)23-16)12-5-6-20-8-12/h4-12,15H,13H2,1-3H3,(H2,23,25,26);4-11,13H,3,12,14H2,1-2H3,(H2,23,25,26);2-9,11H,10,12H2,1H3,(H2,25,27,28);3-10,12H,11H2,1-2H3,(H2,22,24,25);4*3-10,12H,11,13H2,1-2H3,(H2,22,24,25);2-12H,13-14H2,1H3,(H2,22,25,26);2*2-9,11H,10,12H2,1H3,(H2,22,24,25);2-10,12H,11,13H2,1H3,(H2,21,23,24);2-5,7-9,11H,6,10,12H2,1H3,(H2,20,22,23);2-8,10,20H,9,11H2,1H3,(H2,19,22,23)
InChIKeyBAJKGRVSTIBUGV-UHFFFAOYSA-N
MW5480.52 g/mol
LogP39.95
Rot. Bonds85

About 4-(2-chlorophenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-cyclopenta-1,3-dien-1-yl-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-(2-ethylphenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-(2-fluorophenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-[1-[1-[6-(methoxymethyl)-2-pyridinyl]ethyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]pyrazol-4-yl]-6-phenylpyrimidin-2-amine;tetrakis(4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine);4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-phenylpyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1H-pyrrol-3-yl)pyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-[2-(trifluoromethoxy)phenyl]pyrimidin-2-amine;methyl 6-[[4-[2-amino-6-(3-methylphenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-2-carboxylate

4-(2-chlorophenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-cyclopenta-1,3-dien-1-yl-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-(2-ethylphenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-(2-fluorophenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-[1-[1-[6-(methoxymethyl)-2-pyridinyl]ethyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]pyrazol-4-yl]-6-phenylpyrimidin-2-amine;tetrakis(4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine);4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-phenylpyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1H-pyrrol-3-yl)pyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-[2-(trifluoromethoxy)phenyl]pyrimidin-2-amine;methyl 6-[[4-[2-amino-6-(3-methylphenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-2-carboxylate (PubChem CID 164954778) has the molecular formula C288H279ClF4N98O16 and a molecular weight of 5480.52 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-cyclopenta-1,3-dien-1-yl-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-(2-ethylphenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-(2-fluorophenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-[1-[1-[6-(methoxymethyl)-2-pyridinyl]ethyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]pyrazol-4-yl]-6-phenylpyrimidin-2-amine;tetrakis(4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine);4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-phenylpyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1H-pyrrol-3-yl)pyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-[2-(trifluoromethoxy)phenyl]pyrimidin-2-amine;methyl 6-[[4-[2-amino-6-(3-methylphenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Name4-(2-chlorophenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-cyclopenta-1,3-dien-1-yl-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-(2-ethylphenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-(2-fluorophenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-[1-[1-[6-(methoxymethyl)-2-pyridinyl]ethyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]pyrazol-4-yl]-6-phenylpyrimidin-2-amine;tetrakis(4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine);4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-phenylpyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1H-pyrrol-3-yl)pyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-[2-(trifluoromethoxy)phenyl]pyrimidin-2-amine;methyl 6-[[4-[2-amino-6-(3-methylphenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-2-carboxylate
PubChem CID164954778
Molecular FormulaC288H279ClF4N98O16
Molecular Weight5480.52 g/mol
Exact Mass5476.37
IUPAC Name4-(2-chlorophenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-cyclopenta-1,3-dien-1-yl-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-(2-ethylphenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-(2-fluorophenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-[1-[1-[6-(methoxymethyl)-2-pyridinyl]ethyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]pyrazol-4-yl]-6-phenylpyrimidin-2-amine;tetrakis(4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine);4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-phenylpyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1H-pyrrol-3-yl)pyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-[2-(trifluoromethoxy)phenyl]pyrimidin-2-amine;methyl 6-[[4-[2-amino-6-(3-methylphenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-2-carboxylate
SMILESCCc1ccccc1-c1cc(-c2cn(Cc3cccc(COC)n3)nn2)nc(N)n1.COC(=O)c1cccc(Cn2cc(-c3cc(-c4cccc(C)c4)nc(N)n3)nn2)n1.COCc1cccc(C(C)n2cc(-c3cc(-c4cccc(C)c4)nc(N)n3)nn2)n1.COCc1cccc(Cn2cc(-c3cc(-c4cc[nH]c4)nc(N)n3)nn2)n1.COCc1cccc(Cn2cc(-c3cc(-c4cccc(C)c4)nc(N)n3)nn2)n1.COCc1cccc(Cn2cc(-c3cc(-c4cccc(C)c4)nc(N)n3)nn2)n1.COCc1cccc(Cn2cc(-c3cc(-c4cccc(C)c4)nc(N)n3)nn2)n1.COCc1cccc(Cn2cc(-c3cc(-c4cccc(C)c4)nc(N)n3)nn2)n1.COCc1cccc(Cn2cc(-c3cc(-c4ccccc4)nc(N)n3)cn2)n1.COCc1cccc(Cn2cc(-c3cc(-c4ccccc4)nc(N)n3)nn2)n1.COCc1cccc(Cn2cc(-c3cc(-c4ccccc4Cl)nc(N)n3)nn2)n1.COCc1cccc(Cn2cc(-c3cc(-c4ccccc4F)nc(N)n3)nn2)n1.COCc1cccc(Cn2cc(-c3cc(-c4ccccc4OC(F)(F)F)nc(N)n3)nn2)n1.COCc1cccc(Cn2cc(-c3cc(C4=CC=CC4)nc(N)n3)nn2)n1
InChIInChI=1S/2C22H23N7O.C21H18F3N7O2.C21H19N7O2.4C21H21N7O.C21H20N6O.C20H18ClN7O.C20H18FN7O.C20H19N7O.C19H19N7O.C18H18N8O/c1-14-6-4-7-16(10-14)19-11-20(26-22(23)25-19)21-12-29(28-27-21)15(2)18-9-5-8-17(24-18)13-30-3;1-3-15-7-4-5-10-18(15)19-11-20(26-22(23)25-19)21-13-29(28-27-21)12-16-8-6-9-17(24-16)14-30-2;1-32-12-14-6-4-5-13(26-14)10-31-11-18(29-30-31)17-9-16(27-20(25)28-17)15-7-2-3-8-19(15)33-21(22,23)24;1-13-5-3-6-14(9-13)17-10-18(25-21(22)24-17)19-12-28(27-26-19)11-15-7-4-8-16(23-15)20(29)30-2;4*1-14-5-3-6-15(9-14)18-10-19(25-21(22)24-18)20-12-28(27-26-20)11-16-7-4-8-17(23-16)13-29-2;1-28-14-18-9-5-8-17(24-18)13-27-12-16(11-23-27)20-10-19(25-21(22)26-20)15-6-3-2-4-7-15;2*1-29-12-14-6-4-5-13(23-14)10-28-11-19(26-27-28)18-9-17(24-20(22)25-18)15-7-2-3-8-16(15)21;1-28-13-16-9-5-8-15(22-16)11-27-12-19(25-26-27)18-10-17(23-20(21)24-18)14-6-3-2-4-7-14;1-27-12-15-8-4-7-14(21-15)10-26-11-18(24-25-26)17-9-16(22-19(20)23-17)13-5-2-3-6-13;1-27-11-14-4-2-3-13(21-14)9-26-10-17(24-25-26)16-7-15(22-18(19)23-16)12-5-6-20-8-12/h4-12,15H,13H2,1-3H3,(H2,23,25,26);4-11,13H,3,12,14H2,1-2H3,(H2,23,25,26);2-9,11H,10,12H2,1H3,(H2,25,27,28);3-10,12H,11H2,1-2H3,(H2,22,24,25);4*3-10,12H,11,13H2,1-2H3,(H2,22,24,25);2-12H,13-14H2,1H3,(H2,22,25,26);2*2-9,11H,10,12H2,1H3,(H2,22,24,25);2-10,12H,11,13H2,1H3,(H2,21,23,24);2-5,7-9,11H,6,10,12H2,1H3,(H2,20,22,23);2-8,10,20H,9,11H2,1H3,(H2,19,22,23)
InChIKeyBAJKGRVSTIBUGV-UHFFFAOYSA-N
XLogP39.95
TPSA1494.02 Ų
H-Bond Donors15
H-Bond Acceptors113
Rotatable Bonds85
Heavy Atoms407
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005480.52
LogP ≤ 539.95
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 10113

Analyze 4-(2-chlorophenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-cyclopenta-1,3-dien-1-yl-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-(2-ethylphenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-(2-fluorophenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-[1-[1-[6-(methoxymethyl)-2-pyridinyl]ethyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]pyrazol-4-yl]-6-phenylpyrimidin-2-amine;tetrakis(4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine);4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-phenylpyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1H-pyrrol-3-yl)pyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-[2-(trifluoromethoxy)phenyl]pyrimidin-2-amine;methyl 6-[[4-[2-amino-6-(3-methylphenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-cyclopenta-1,3-dien-1-yl-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-(2-ethylphenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-(2-fluorophenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-[1-[1-[6-(methoxymethyl)-2-pyridinyl]ethyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]pyrazol-4-yl]-6-phenylpyrimidin-2-amine;tetrakis(4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine);4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-phenylpyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1H-pyrrol-3-yl)pyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-[2-(trifluoromethoxy)phenyl]pyrimidin-2-amine;methyl 6-[[4-[2-amino-6-(3-methylphenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-2-carboxylate?
The IUPAC name of 4-(2-chlorophenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-cyclopenta-1,3-dien-1-yl-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-(2-ethylphenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-(2-fluorophenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-[1-[1-[6-(methoxymethyl)-2-pyridinyl]ethyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]pyrazol-4-yl]-6-phenylpyrimidin-2-amine;tetrakis(4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine);4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-phenylpyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1H-pyrrol-3-yl)pyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-[2-(trifluoromethoxy)phenyl]pyrimidin-2-amine;methyl 6-[[4-[2-amino-6-(3-methylphenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-2-carboxylate (CID 164954778) is 4-(2-chlorophenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-cyclopenta-1,3-dien-1-yl-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-(2-ethylphenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-(2-fluorophenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-[1-[1-[6-(methoxymethyl)-2-pyridinyl]ethyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]pyrazol-4-yl]-6-phenylpyrimidin-2-amine;tetrakis(4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine);4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-phenylpyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1H-pyrrol-3-yl)pyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-[2-(trifluoromethoxy)phenyl]pyrimidin-2-amine;methyl 6-[[4-[2-amino-6-(3-methylphenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-2-carboxylate.
What is the SMILES notation for 4-(2-chlorophenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-cyclopenta-1,3-dien-1-yl-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-(2-ethylphenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-(2-fluorophenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-[1-[1-[6-(methoxymethyl)-2-pyridinyl]ethyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]pyrazol-4-yl]-6-phenylpyrimidin-2-amine;tetrakis(4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine);4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-phenylpyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1H-pyrrol-3-yl)pyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-[2-(trifluoromethoxy)phenyl]pyrimidin-2-amine;methyl 6-[[4-[2-amino-6-(3-methylphenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-2-carboxylate?
The canonical SMILES for 4-(2-chlorophenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-cyclopenta-1,3-dien-1-yl-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-(2-ethylphenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-(2-fluorophenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-[1-[1-[6-(methoxymethyl)-2-pyridinyl]ethyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]pyrazol-4-yl]-6-phenylpyrimidin-2-amine;tetrakis(4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine);4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-phenylpyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1H-pyrrol-3-yl)pyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-[2-(trifluoromethoxy)phenyl]pyrimidin-2-amine;methyl 6-[[4-[2-amino-6-(3-methylphenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-2-carboxylate is CCc1ccccc1-c1cc(-c2cn(Cc3cccc(COC)n3)nn2)nc(N)n1.COC(=O)c1cccc(Cn2cc(-c3cc(-c4cccc(C)c4)nc(N)n3)nn2)n1.COCc1cccc(C(C)n2cc(-c3cc(-c4cccc(C)c4)nc(N)n3)nn2)n1.COCc1cccc(Cn2cc(-c3cc(-c4cc[nH]c4)nc(N)n3)nn2)n1.COCc1cccc(Cn2cc(-c3cc(-c4cccc(C)c4)nc(N)n3)nn2)n1.COCc1cccc(Cn2cc(-c3cc(-c4cccc(C)c4)nc(N)n3)nn2)n1.COCc1cccc(Cn2cc(-c3cc(-c4cccc(C)c4)nc(N)n3)nn2)n1.COCc1cccc(Cn2cc(-c3cc(-c4cccc(C)c4)nc(N)n3)nn2)n1.COCc1cccc(Cn2cc(-c3cc(-c4ccccc4)nc(N)n3)cn2)n1.COCc1cccc(Cn2cc(-c3cc(-c4ccccc4)nc(N)n3)nn2)n1.COCc1cccc(Cn2cc(-c3cc(-c4ccccc4Cl)nc(N)n3)nn2)n1.COCc1cccc(Cn2cc(-c3cc(-c4ccccc4F)nc(N)n3)nn2)n1.COCc1cccc(Cn2cc(-c3cc(-c4ccccc4OC(F)(F)F)nc(N)n3)nn2)n1.COCc1cccc(Cn2cc(-c3cc(C4=CC=CC4)nc(N)n3)nn2)n1.
What is the InChIKey of 4-(2-chlorophenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-cyclopenta-1,3-dien-1-yl-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-(2-ethylphenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-(2-fluorophenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-[1-[1-[6-(methoxymethyl)-2-pyridinyl]ethyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]pyrazol-4-yl]-6-phenylpyrimidin-2-amine;tetrakis(4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine);4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-phenylpyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1H-pyrrol-3-yl)pyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-[2-(trifluoromethoxy)phenyl]pyrimidin-2-amine;methyl 6-[[4-[2-amino-6-(3-methylphenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-2-carboxylate?
The InChIKey is BAJKGRVSTIBUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H23N7O.C21H18F3N7O2.C21H19N7O2.4C21H21N7O.C21H20N6O.C20H18ClN7O.C20H18FN7O.C20H19N7O.C19H19N7O.C18H18N8O/c1-14-6-4-7-16(10-14)19-11-20(26-22(23)25-19)21-12-29(28-27-21)15(2)18-9-5-8-17(24-18)13-30-3;1-3-15-7-4-5-10-18(15)19-11-20(26-22(23)25-19)21-13-29(28-27-21)12-16-8-6-9-17(24-16)14-30-2;1-32-12-14-6-4-5-13(26-14)10-31-11-18(29-30-31)17-9-16(27-20(25)28-17)15-7-2-3-8-19(15)33-21(22,23)24;1-13-5-3-6-14(9-13)17-10-18(25-21(22)24-17)19-12-28(27-26-19)11-15-7-4-8-16(23-15)20(29)30-2;4*1-14-5-3-6-15(9-14)18-10-19(25-21(22)24-18)20-12-28(27-26-20)11-16-7-4-8-17(23-16)13-29-2;1-28-14-18-9-5-8-17(24-18)13-27-12-16(11-23-27)20-10-19(25-21(22)26-20)15-6-3-2-4-7-15;2*1-29-12-14-6-4-5-13(23-14)10-28-11-19(26-27-28)18-9-17(24-20(22)25-18)15-7-2-3-8-16(15)21;1-28-13-16-9-5-8-15(22-16)11-27-12-19(25-26-27)18-10-17(23-20(21)24-18)14-6-3-2-4-7-14;1-27-12-15-8-4-7-14(21-15)10-26-11-18(24-25-26)17-9-16(22-19(20)23-17)13-5-2-3-6-13;1-27-11-14-4-2-3-13(21-14)9-26-10-17(24-25-26)16-7-15(22-18(19)23-16)12-5-6-20-8-12/h4-12,15H,13H2,1-3H3,(H2,23,25,26);4-11,13H,3,12,14H2,1-2H3,(H2,23,25,26);2-9,11H,10,12H2,1H3,(H2,25,27,28);3-10,12H,11H2,1-2H3,(H2,22,24,25);4*3-10,12H,11,13H2,1-2H3,(H2,22,24,25);2-12H,13-14H2,1H3,(H2,22,25,26);2*2-9,11H,10,12H2,1H3,(H2,22,24,25);2-10,12H,11,13H2,1H3,(H2,21,23,24);2-5,7-9,11H,6,10,12H2,1H3,(H2,20,22,23);2-8,10,20H,9,11H2,1H3,(H2,19,22,23).
What are the key properties of 4-(2-chlorophenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-cyclopenta-1,3-dien-1-yl-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-(2-ethylphenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-(2-fluorophenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-[1-[1-[6-(methoxymethyl)-2-pyridinyl]ethyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]pyrazol-4-yl]-6-phenylpyrimidin-2-amine;tetrakis(4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine);4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-phenylpyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1H-pyrrol-3-yl)pyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-[2-(trifluoromethoxy)phenyl]pyrimidin-2-amine;methyl 6-[[4-[2-amino-6-(3-methylphenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-2-carboxylate?
4-(2-chlorophenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-cyclopenta-1,3-dien-1-yl-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-(2-ethylphenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-(2-fluorophenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-[1-[1-[6-(methoxymethyl)-2-pyridinyl]ethyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]pyrazol-4-yl]-6-phenylpyrimidin-2-amine;tetrakis(4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine);4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-phenylpyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1H-pyrrol-3-yl)pyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-[2-(trifluoromethoxy)phenyl]pyrimidin-2-amine;methyl 6-[[4-[2-amino-6-(3-methylphenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-2-carboxylate has a molecular weight of 5480.52 g/mol, XLogP of 39.95, 85 rotatable bonds, 15 hydrogen bond donors, and 113 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-cyclopenta-1,3-dien-1-yl-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-(2-ethylphenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-(2-fluorophenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;4-[1-[1-[6-(methoxymethyl)-2-pyridinyl]ethyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]pyrazol-4-yl]-6-phenylpyrimidin-2-amine;tetrakis(4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine);4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-phenylpyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1H-pyrrol-3-yl)pyrimidin-2-amine;4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-[2-(trifluoromethoxy)phenyl]pyrimidin-2-amine;methyl 6-[[4-[2-amino-6-(3-methylphenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 164954778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).