bis(4-N-[1-(4-chloro-2-fluorophenyl)ethyl]-6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methylpyrimidine-4,6-diamine);2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(2,4-difluorophenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)propyl]-2-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[2-(4-fluorophenyl)propan-2-yl]-2-methylpyrimidine-4,6-diamine;2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-4-N-[(2,4,6-trifluorophenyl)methyl]-1,3,5-triazine-2,4-diamine

C112H118Cl2F10N38 — CID 158173506

IUPACbis(4-N-[1-(4-chloro-2-fluorophenyl)ethyl]-6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methylpyrimidine-4,6-diamine);2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(2,4-difluorophenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)propyl]-2-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[2-(4-fluorophenyl)propan-2-yl]-2-methylpyrimidine-4,6-diamine;2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-4-N-[(2,4,6-trifluorophenyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCC(Nc1cc(Nc2cc(C3CC3)[nH]n2)nc(C)n1)c1ccc(F)cc1F.Cc1nc(NCc2c(F)cc(F)cc2F)nc(Nc2cc(C3CC3)[nH]n2)n1.Cc1nc(NCc2ccc(F)cc2F)nc(Nc2cc(C3CC3)[nH]n2)n1.Cc1nc(Nc2cc(C3CC3)[nH]n2)cc(NC(C)(C)c2ccc(F)cc2)n1.Cc1nc(Nc2cc(C3CC3)[nH]n2)cc(NC(C)c2ccc(Cl)cc2F)n1.Cc1nc(Nc2cc(C3CC3)[nH]n2)cc(NC(C)c2ccc(Cl)cc2F)n1
InChIInChI=1S/C20H22F2N6.C20H23FN6.2C19H20ClFN6.C17H16F3N7.C17H17F2N7/c1-3-16(14-7-6-13(21)8-15(14)22)25-18-10-19(24-11(2)23-18)26-20-9-17(27-28-20)12-4-5-12;1-12-22-17(24-19-10-16(26-27-19)13-4-5-13)11-18(23-12)25-20(2,3)14-6-8-15(21)9-7-14;2*1-10(14-6-5-13(20)7-15(14)21)22-17-9-18(24-11(2)23-17)25-19-8-16(26-27-19)12-3-4-12;1-8-22-16(21-7-11-12(19)4-10(18)5-13(11)20)25-17(23-8)24-15-6-14(26-27-15)9-2-3-9;1-9-21-16(20-8-11-4-5-12(18)6-13(11)19)24-17(22-9)23-15-7-14(25-26-15)10-2-3-10/h6-10,12,16H,3-5H2,1-2H3,(H3,23,24,25,26,27,28);6-11,13H,4-5H2,1-3H3,(H3,22,23,24,25,26,27);2*5-10,12H,3-4H2,1-2H3,(H3,22,23,24,25,26,27);4-6,9H,2-3,7H2,1H3,(H3,21,22,23,24,25,26,27);4-7,10H,2-3,8H2,1H3,(H3,20,21,22,23,24,25,26)
InChIKeyFXSUAYHVMVUEQI-UHFFFAOYSA-N
MW2257.33 g/mol
LogP26.74
Rot. Bonds37

About bis(4-N-[1-(4-chloro-2-fluorophenyl)ethyl]-6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methylpyrimidine-4,6-diamine);2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(2,4-difluorophenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)propyl]-2-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[2-(4-fluorophenyl)propan-2-yl]-2-methylpyrimidine-4,6-diamine;2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-4-N-[(2,4,6-trifluorophenyl)methyl]-1,3,5-triazine-2,4-diamine

bis(4-N-[1-(4-chloro-2-fluorophenyl)ethyl]-6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methylpyrimidine-4,6-diamine);2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(2,4-difluorophenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)propyl]-2-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[2-(4-fluorophenyl)propan-2-yl]-2-methylpyrimidine-4,6-diamine;2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-4-N-[(2,4,6-trifluorophenyl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 158173506) has the molecular formula C112H118Cl2F10N38 and a molecular weight of 2257.33 g/mol. Its IUPAC name is bis(4-N-[1-(4-chloro-2-fluorophenyl)ethyl]-6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methylpyrimidine-4,6-diamine);2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(2,4-difluorophenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)propyl]-2-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[2-(4-fluorophenyl)propan-2-yl]-2-methylpyrimidine-4,6-diamine;2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-4-N-[(2,4,6-trifluorophenyl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Namebis(4-N-[1-(4-chloro-2-fluorophenyl)ethyl]-6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methylpyrimidine-4,6-diamine);2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(2,4-difluorophenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)propyl]-2-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[2-(4-fluorophenyl)propan-2-yl]-2-methylpyrimidine-4,6-diamine;2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-4-N-[(2,4,6-trifluorophenyl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID158173506
Molecular FormulaC112H118Cl2F10N38
Molecular Weight2257.33 g/mol
Exact Mass2254.96
IUPAC Namebis(4-N-[1-(4-chloro-2-fluorophenyl)ethyl]-6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methylpyrimidine-4,6-diamine);2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(2,4-difluorophenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)propyl]-2-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[2-(4-fluorophenyl)propan-2-yl]-2-methylpyrimidine-4,6-diamine;2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-4-N-[(2,4,6-trifluorophenyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCC(Nc1cc(Nc2cc(C3CC3)[nH]n2)nc(C)n1)c1ccc(F)cc1F.Cc1nc(NCc2c(F)cc(F)cc2F)nc(Nc2cc(C3CC3)[nH]n2)n1.Cc1nc(NCc2ccc(F)cc2F)nc(Nc2cc(C3CC3)[nH]n2)n1.Cc1nc(Nc2cc(C3CC3)[nH]n2)cc(NC(C)(C)c2ccc(F)cc2)n1.Cc1nc(Nc2cc(C3CC3)[nH]n2)cc(NC(C)c2ccc(Cl)cc2F)n1.Cc1nc(Nc2cc(C3CC3)[nH]n2)cc(NC(C)c2ccc(Cl)cc2F)n1
InChIInChI=1S/C20H22F2N6.C20H23FN6.2C19H20ClFN6.C17H16F3N7.C17H17F2N7/c1-3-16(14-7-6-13(21)8-15(14)22)25-18-10-19(24-11(2)23-18)26-20-9-17(27-28-20)12-4-5-12;1-12-22-17(24-19-10-16(26-27-19)13-4-5-13)11-18(23-12)25-20(2,3)14-6-8-15(21)9-7-14;2*1-10(14-6-5-13(20)7-15(14)21)22-17-9-18(24-11(2)23-17)25-19-8-16(26-27-19)12-3-4-12;1-8-22-16(21-7-11-12(19)4-10(18)5-13(11)20)25-17(23-8)24-15-6-14(26-27-15)9-2-3-9;1-9-21-16(20-8-11-4-5-12(18)6-13(11)19)24-17(22-9)23-15-7-14(25-26-15)10-2-3-10/h6-10,12,16H,3-5H2,1-2H3,(H3,23,24,25,26,27,28);6-11,13H,4-5H2,1-3H3,(H3,22,23,24,25,26,27);2*5-10,12H,3-4H2,1-2H3,(H3,22,23,24,25,26,27);4-6,9H,2-3,7H2,1H3,(H3,21,22,23,24,25,26,27);4-7,10H,2-3,8H2,1H3,(H3,20,21,22,23,24,25,26)
InChIKeyFXSUAYHVMVUEQI-UHFFFAOYSA-N
XLogP26.74
TPSA496.90 Ų
H-Bond Donors18
H-Bond Acceptors32
Rotatable Bonds37
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002257.33
LogP ≤ 526.74
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1032

Analyze bis(4-N-[1-(4-chloro-2-fluorophenyl)ethyl]-6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methylpyrimidine-4,6-diamine);2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(2,4-difluorophenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)propyl]-2-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[2-(4-fluorophenyl)propan-2-yl]-2-methylpyrimidine-4,6-diamine;2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-4-N-[(2,4,6-trifluorophenyl)methyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

N-[4-(2-chlorophenyl)-6-cyclohexylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine;N-[4-(2-chlorophenyl)-6-piperidin-1-ylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine;N-[4-(2-chlorophenyl)-6-piperidin-1-ylpyrimidin-2-yl]-1H-indazol-3-amine;N-[4-cyclohexyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine
CID 157974937
N-[6-(2-chlorophenyl)-3,4-dimethyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(2-chlorophenyl)-4,5-dimethyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(2-chlorophenyl)-4-(trifluoromethyl)-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-(4,5-dimethyl-6-phenyl-2-pyridinyl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;molecular hydrogen
CID 158111940
N-(5-cyclopentyl-1H-pyrazol-3-yl)-6-methyl-2-(4-methylphenyl)pyrimidin-4-amine;5,6-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine;6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine;6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine
CID 158352473
2-(3-chloro-4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(3,5-difluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]benzonitrile;N-(5-methyl-1H-pyrazol-3-yl)-2-(3-propan-2-ylphenyl)quinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 158788400
N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-1H-indazol-3-amine;N-[5,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5,7-difluoro-1H-indazol-3-amine;N-[5,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine;N-[5,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-7-fluoro-1H-indazol-3-amine
CID 159302931
N-[2-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine;N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine;2-(2-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;N-[5,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 159535277
6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-(2-phenylpiperidin-1-yl)pyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidine-2,4-diamine
CID 159980404
N-[6-(2-chlorophenyl)-3,4-dimethyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(2-chlorophenyl)-4,5-dimethyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[2-(2-chlorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-(4,5-dimethyl-6-phenyl-2-pyridinyl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[5,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 160883410
4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N,N-bis(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N-ethylcyclohexan-1-amine;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]-5-fluoropyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine
CID 160928133
4-chloro-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine;4-cyclopropyl-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine;2,4-dichloro-6-(3-methylpyrazol-1-yl)pyridine;4,4-difluorocyclohexan-1-amine;5-methyl-1H-pyrazole;2,4,6-trichloropyridine
CID 160954344
2-(Cyclopropylmethyl)-8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(cyclopropylmethyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-2-ethyl-7-phenyl-[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;2-ethyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[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
CID 161976216
2-(2-chlorophenyl)-5,6-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-(2-chlorophenyl)-N-(7-fluoro-1H-indazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;2-(2-chlorophenyl)-N-(1H-indazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 162171017

Frequently Asked Questions

What is the IUPAC name of bis(4-N-[1-(4-chloro-2-fluorophenyl)ethyl]-6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methylpyrimidine-4,6-diamine);2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(2,4-difluorophenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)propyl]-2-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[2-(4-fluorophenyl)propan-2-yl]-2-methylpyrimidine-4,6-diamine;2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-4-N-[(2,4,6-trifluorophenyl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of bis(4-N-[1-(4-chloro-2-fluorophenyl)ethyl]-6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methylpyrimidine-4,6-diamine);2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(2,4-difluorophenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)propyl]-2-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[2-(4-fluorophenyl)propan-2-yl]-2-methylpyrimidine-4,6-diamine;2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-4-N-[(2,4,6-trifluorophenyl)methyl]-1,3,5-triazine-2,4-diamine (CID 158173506) is bis(4-N-[1-(4-chloro-2-fluorophenyl)ethyl]-6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methylpyrimidine-4,6-diamine);2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(2,4-difluorophenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)propyl]-2-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[2-(4-fluorophenyl)propan-2-yl]-2-methylpyrimidine-4,6-diamine;2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-4-N-[(2,4,6-trifluorophenyl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for bis(4-N-[1-(4-chloro-2-fluorophenyl)ethyl]-6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methylpyrimidine-4,6-diamine);2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(2,4-difluorophenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)propyl]-2-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[2-(4-fluorophenyl)propan-2-yl]-2-methylpyrimidine-4,6-diamine;2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-4-N-[(2,4,6-trifluorophenyl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for bis(4-N-[1-(4-chloro-2-fluorophenyl)ethyl]-6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methylpyrimidine-4,6-diamine);2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(2,4-difluorophenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)propyl]-2-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[2-(4-fluorophenyl)propan-2-yl]-2-methylpyrimidine-4,6-diamine;2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-4-N-[(2,4,6-trifluorophenyl)methyl]-1,3,5-triazine-2,4-diamine is CCC(Nc1cc(Nc2cc(C3CC3)[nH]n2)nc(C)n1)c1ccc(F)cc1F.Cc1nc(NCc2c(F)cc(F)cc2F)nc(Nc2cc(C3CC3)[nH]n2)n1.Cc1nc(NCc2ccc(F)cc2F)nc(Nc2cc(C3CC3)[nH]n2)n1.Cc1nc(Nc2cc(C3CC3)[nH]n2)cc(NC(C)(C)c2ccc(F)cc2)n1.Cc1nc(Nc2cc(C3CC3)[nH]n2)cc(NC(C)c2ccc(Cl)cc2F)n1.Cc1nc(Nc2cc(C3CC3)[nH]n2)cc(NC(C)c2ccc(Cl)cc2F)n1.
What is the InChIKey of bis(4-N-[1-(4-chloro-2-fluorophenyl)ethyl]-6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methylpyrimidine-4,6-diamine);2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(2,4-difluorophenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)propyl]-2-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[2-(4-fluorophenyl)propan-2-yl]-2-methylpyrimidine-4,6-diamine;2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-4-N-[(2,4,6-trifluorophenyl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is FXSUAYHVMVUEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N6.C20H23FN6.2C19H20ClFN6.C17H16F3N7.C17H17F2N7/c1-3-16(14-7-6-13(21)8-15(14)22)25-18-10-19(24-11(2)23-18)26-20-9-17(27-28-20)12-4-5-12;1-12-22-17(24-19-10-16(26-27-19)13-4-5-13)11-18(23-12)25-20(2,3)14-6-8-15(21)9-7-14;2*1-10(14-6-5-13(20)7-15(14)21)22-17-9-18(24-11(2)23-17)25-19-8-16(26-27-19)12-3-4-12;1-8-22-16(21-7-11-12(19)4-10(18)5-13(11)20)25-17(23-8)24-15-6-14(26-27-15)9-2-3-9;1-9-21-16(20-8-11-4-5-12(18)6-13(11)19)24-17(22-9)23-15-7-14(25-26-15)10-2-3-10/h6-10,12,16H,3-5H2,1-2H3,(H3,23,24,25,26,27,28);6-11,13H,4-5H2,1-3H3,(H3,22,23,24,25,26,27);2*5-10,12H,3-4H2,1-2H3,(H3,22,23,24,25,26,27);4-6,9H,2-3,7H2,1H3,(H3,21,22,23,24,25,26,27);4-7,10H,2-3,8H2,1H3,(H3,20,21,22,23,24,25,26).
What are the key properties of bis(4-N-[1-(4-chloro-2-fluorophenyl)ethyl]-6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methylpyrimidine-4,6-diamine);2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(2,4-difluorophenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)propyl]-2-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[2-(4-fluorophenyl)propan-2-yl]-2-methylpyrimidine-4,6-diamine;2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-4-N-[(2,4,6-trifluorophenyl)methyl]-1,3,5-triazine-2,4-diamine?
bis(4-N-[1-(4-chloro-2-fluorophenyl)ethyl]-6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methylpyrimidine-4,6-diamine);2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(2,4-difluorophenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)propyl]-2-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[2-(4-fluorophenyl)propan-2-yl]-2-methylpyrimidine-4,6-diamine;2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-4-N-[(2,4,6-trifluorophenyl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 2257.33 g/mol, XLogP of 26.74, 37 rotatable bonds, 18 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-N-[1-(4-chloro-2-fluorophenyl)ethyl]-6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methylpyrimidine-4,6-diamine);2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(2,4-difluorophenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)propyl]-2-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[2-(4-fluorophenyl)propan-2-yl]-2-methylpyrimidine-4,6-diamine;2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-4-N-[(2,4,6-trifluorophenyl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 158173506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).