2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine

C78H71F8N33OS — CID 159962529

IUPAC2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCC(Nc1nc(N)nc(Nc2cc(-c3ccccc3)[nH]n2)n1)c1ccc(F)cc1F.CC(Nc1nc(N)nc(Nc2cc(-c3cccnc3)[nH]n2)n1)c1ccc(F)cc1F.CC(Nc1nc(N)nc(Nc2cc(-c3cccs3)[nH]n2)n1)c1ccc(F)cc1F.COc1cccc(-c2cc(Nc3nc(N)nc(NC(C)c4ccc(F)cc4F)n3)n[nH]2)c1
InChIInChI=1S/C21H20F2N8O.C20H18F2N8.C19H17F2N9.C18H16F2N8S/c1-11(15-7-6-13(22)9-16(15)23)25-20-27-19(24)28-21(29-20)26-18-10-17(30-31-18)12-4-3-5-14(8-12)32-2;1-11(14-8-7-13(21)9-15(14)22)24-19-26-18(23)27-20(28-19)25-17-10-16(29-30-17)12-5-3-2-4-6-12;1-10(13-5-4-12(20)7-14(13)21)24-18-26-17(22)27-19(28-18)25-16-8-15(29-30-16)11-3-2-6-23-9-11;1-9(11-5-4-10(19)7-12(11)20)22-17-24-16(21)25-18(26-17)23-15-8-13(27-28-15)14-3-2-6-29-14/h3-11H,1-2H3,(H5,24,25,26,27,28,29,30,31);2-11H,1H3,(H5,23,24,25,26,27,28,29,30);2-10H,1H3,(H5,22,24,25,26,27,28,29,30);2-9H,1H3,(H5,21,22,23,24,25,26,27,28)
InChIKeyODNADEAFSGQVQK-UHFFFAOYSA-N
MW1670.71 g/mol
LogP15.62
Rot. Bonds25

About 2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine

2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 159962529) has the molecular formula C78H71F8N33OS and a molecular weight of 1670.71 g/mol. Its IUPAC name is 2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID159962529
Molecular FormulaC78H71F8N33OS
Molecular Weight1670.71 g/mol
Exact Mass1669.61
IUPAC Name2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCC(Nc1nc(N)nc(Nc2cc(-c3ccccc3)[nH]n2)n1)c1ccc(F)cc1F.CC(Nc1nc(N)nc(Nc2cc(-c3cccnc3)[nH]n2)n1)c1ccc(F)cc1F.CC(Nc1nc(N)nc(Nc2cc(-c3cccs3)[nH]n2)n1)c1ccc(F)cc1F.COc1cccc(-c2cc(Nc3nc(N)nc(NC(C)c4ccc(F)cc4F)n3)n[nH]2)c1
InChIInChI=1S/C21H20F2N8O.C20H18F2N8.C19H17F2N9.C18H16F2N8S/c1-11(15-7-6-13(22)9-16(15)23)25-20-27-19(24)28-21(29-20)26-18-10-17(30-31-18)12-4-3-5-14(8-12)32-2;1-11(14-8-7-13(21)9-15(14)22)24-19-26-18(23)27-20(28-19)25-17-10-16(29-30-17)12-5-3-2-4-6-12;1-10(13-5-4-12(20)7-14(13)21)24-18-26-17(22)27-19(28-18)25-16-8-15(29-30-16)11-3-2-6-23-9-11;1-9(11-5-4-10(19)7-12(11)20)22-17-24-16(21)25-18(26-17)23-15-8-13(27-28-15)14-3-2-6-29-14/h3-11H,1-2H3,(H5,24,25,26,27,28,29,30,31);2-11H,1H3,(H5,23,24,25,26,27,28,29,30);2-10H,1H3,(H5,22,24,25,26,27,28,29,30);2-9H,1H3,(H5,21,22,23,24,25,26,27,28)
InChIKeyODNADEAFSGQVQK-UHFFFAOYSA-N
XLogP15.62
TPSA491.84 Ų
H-Bond Donors16
H-Bond Acceptors31
Rotatable Bonds25
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001670.71
LogP ≤ 515.62
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1031

Analyze 2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

2-N-cyclobutyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(4-fluorophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-(trifluoromethoxy)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 157457357
7-(2,4-Difluorophenyl)-8-(2,6-dimethyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluoro-2-methoxyphenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(1-methylpyrazol-3-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 158035203
2-N-[(3,4-difluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(3,5-difluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[[4-(trifluoromethoxy)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 158809620
3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[2-fluoro-5-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[6-fluoro-5-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-3-pyridinyl]morpholine;N-[3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;N-(3-morpholin-4-ylphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;4-[3-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(trifluoromethoxy)phenyl]morpholine
CID 159106309
3-[2-fluoro-5-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;N-[3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;N-(3-morpholin-4-ylphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;4-[3-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(trifluoromethoxy)phenyl]morpholine
CID 159154801
3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[2-fluoro-5-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;N-[3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;N-(3-morpholin-4-ylphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;4-[3-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(trifluoromethoxy)phenyl]morpholine
CID 160645408
6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 161353697
3-[1-[2,3-Difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]-5-pyridin-4-ylpyridin-2-amine;3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-(2-methoxy-4-pyridinyl)pyridin-2-amine;3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine
CID 157062441
N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-4-fluorobenzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2-(4-methoxyphenyl)cyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]thiophene-3-sulfonamide;N-[2,4-difluoro-3-[[3-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide
CID 157069661
4-N-[1-(4-fluorophenyl)ethyl]-6-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(4-fluorophenyl)ethyl]-6-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(4-fluorophenyl)ethyl]-6-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(4-fluorophenyl)ethyl]-6-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine
CID 157145186
3-[5-(aminomethyl)thiophen-2-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-1H-indol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methylpyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 157148385
3-[1-[2,3-difluoro-4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-(4-methylthiophen-2-yl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine
CID 157184440

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine (CID 159962529) is 2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine is CC(Nc1nc(N)nc(Nc2cc(-c3ccccc3)[nH]n2)n1)c1ccc(F)cc1F.CC(Nc1nc(N)nc(Nc2cc(-c3cccnc3)[nH]n2)n1)c1ccc(F)cc1F.CC(Nc1nc(N)nc(Nc2cc(-c3cccs3)[nH]n2)n1)c1ccc(F)cc1F.COc1cccc(-c2cc(Nc3nc(N)nc(NC(C)c4ccc(F)cc4F)n3)n[nH]2)c1.
What is the InChIKey of 2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is ODNADEAFSGQVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N8O.C20H18F2N8.C19H17F2N9.C18H16F2N8S/c1-11(15-7-6-13(22)9-16(15)23)25-20-27-19(24)28-21(29-20)26-18-10-17(30-31-18)12-4-3-5-14(8-12)32-2;1-11(14-8-7-13(21)9-15(14)22)24-19-26-18(23)27-20(28-19)25-17-10-16(29-30-17)12-5-3-2-4-6-12;1-10(13-5-4-12(20)7-14(13)21)24-18-26-17(22)27-19(28-18)25-16-8-15(29-30-16)11-3-2-6-23-9-11;1-9(11-5-4-10(19)7-12(11)20)22-17-24-16(21)25-18(26-17)23-15-8-13(27-28-15)14-3-2-6-29-14/h3-11H,1-2H3,(H5,24,25,26,27,28,29,30,31);2-11H,1H3,(H5,23,24,25,26,27,28,29,30);2-10H,1H3,(H5,22,24,25,26,27,28,29,30);2-9H,1H3,(H5,21,22,23,24,25,26,27,28).
What are the key properties of 2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine?
2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 1670.71 g/mol, XLogP of 15.62, 25 rotatable bonds, 16 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 159962529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).