2-tert-butyl-4-(4-tert-butylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine;2-tert-butyl-4-(2,4-difluorophenyl)-6-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine;2-tert-butyl-4-(5-methyl-1H-pyrazol-3-yl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2-(4-fluorophenyl)-4-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine;4-methyl-2-(4-methylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine;4-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]quinazoline

C106H104F9N27 — CID 158146145

IUPAC2-tert-butyl-4-(4-tert-butylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine;2-tert-butyl-4-(2,4-difluorophenyl)-6-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine;2-tert-butyl-4-(5-methyl-1H-pyrazol-3-yl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2-(4-fluorophenyl)-4-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine;4-methyl-2-(4-methylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine;4-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]quinazoline
SMILESCc1cc(-c2cc(C)[nH]n2)nc(-c2ccc(F)cc2)n1.Cc1cc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(C(C)(C)C)n2)n[nH]1.Cc1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)nc(C(C)(C)C)n2)n[nH]1.Cc1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)nc3ccccc23)n[nH]1.Cc1cc(-c2nc(-c3ccc(F)cc3F)nc(C(C)(C)C)n2)n[nH]1.Cc1ccc(-c2nc(C)cc(-c3cc(C)[nH]n3)n2)cc1
InChIInChI=1S/C21H27N5.C19H13F3N4.C18H18F3N5.C17H17F2N5.C16H16N4.C15H13FN4/c1-13-12-16(26-25-13)18-22-17(23-19(24-18)21(5,6)7)14-8-10-15(11-9-14)20(2,3)4;1-11-10-16(26-25-11)17-14-4-2-3-5-15(14)23-18(24-17)12-6-8-13(9-7-12)19(20,21)22;1-10-9-13(26-25-10)15-22-14(23-16(24-15)17(2,3)4)11-5-7-12(8-6-11)18(19,20)21;1-9-7-13(24-23-9)15-20-14(21-16(22-15)17(2,3)4)11-6-5-10(18)8-12(11)19;1-10-4-6-13(7-5-10)16-17-11(2)8-14(18-16)15-9-12(3)19-20-15;1-9-7-13(14-8-10(2)19-20-14)18-15(17-9)11-3-5-12(16)6-4-11/h8-12H,1-7H3,(H,25,26);2-10H,1H3,(H,25,26);5-9H,1-4H3,(H,25,26);5-8H,1-4H3,(H,23,24);4-9H,1-3H3,(H,19,20);3-8H,1-2H3,(H,19,20)
InChIKeyFUNSABCVPICIST-UHFFFAOYSA-N
MW1927.17 g/mol
LogP24.96
Rot. Bonds12

About 2-tert-butyl-4-(4-tert-butylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine;2-tert-butyl-4-(2,4-difluorophenyl)-6-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine;2-tert-butyl-4-(5-methyl-1H-pyrazol-3-yl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2-(4-fluorophenyl)-4-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine;4-methyl-2-(4-methylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine;4-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]quinazoline

2-tert-butyl-4-(4-tert-butylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine;2-tert-butyl-4-(2,4-difluorophenyl)-6-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine;2-tert-butyl-4-(5-methyl-1H-pyrazol-3-yl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2-(4-fluorophenyl)-4-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine;4-methyl-2-(4-methylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine;4-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]quinazoline (PubChem CID 158146145) has the molecular formula C106H104F9N27 and a molecular weight of 1927.17 g/mol. Its IUPAC name is 2-tert-butyl-4-(4-tert-butylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine;2-tert-butyl-4-(2,4-difluorophenyl)-6-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine;2-tert-butyl-4-(5-methyl-1H-pyrazol-3-yl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2-(4-fluorophenyl)-4-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine;4-methyl-2-(4-methylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine;4-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]quinazoline.

Molecular Properties

Compound Name2-tert-butyl-4-(4-tert-butylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine;2-tert-butyl-4-(2,4-difluorophenyl)-6-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine;2-tert-butyl-4-(5-methyl-1H-pyrazol-3-yl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2-(4-fluorophenyl)-4-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine;4-methyl-2-(4-methylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine;4-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]quinazoline
PubChem CID158146145
Molecular FormulaC106H104F9N27
Molecular Weight1927.17 g/mol
Exact Mass1925.88
IUPAC Name2-tert-butyl-4-(4-tert-butylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine;2-tert-butyl-4-(2,4-difluorophenyl)-6-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine;2-tert-butyl-4-(5-methyl-1H-pyrazol-3-yl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2-(4-fluorophenyl)-4-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine;4-methyl-2-(4-methylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine;4-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]quinazoline
SMILESCc1cc(-c2cc(C)[nH]n2)nc(-c2ccc(F)cc2)n1.Cc1cc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(C(C)(C)C)n2)n[nH]1.Cc1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)nc(C(C)(C)C)n2)n[nH]1.Cc1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)nc3ccccc23)n[nH]1.Cc1cc(-c2nc(-c3ccc(F)cc3F)nc(C(C)(C)C)n2)n[nH]1.Cc1ccc(-c2nc(C)cc(-c3cc(C)[nH]n3)n2)cc1
InChIInChI=1S/C21H27N5.C19H13F3N4.C18H18F3N5.C17H17F2N5.C16H16N4.C15H13FN4/c1-13-12-16(26-25-13)18-22-17(23-19(24-18)21(5,6)7)14-8-10-15(11-9-14)20(2,3)4;1-11-10-16(26-25-11)17-14-4-2-3-5-15(14)23-18(24-17)12-6-8-13(9-7-12)19(20,21)22;1-10-9-13(26-25-10)15-22-14(23-16(24-15)17(2,3)4)11-5-7-12(8-6-11)18(19,20)21;1-9-7-13(24-23-9)15-20-14(21-16(22-15)17(2,3)4)11-6-5-10(18)8-12(11)19;1-10-4-6-13(7-5-10)16-17-11(2)8-14(18-16)15-9-12(3)19-20-15;1-9-7-13(14-8-10(2)19-20-14)18-15(17-9)11-3-5-12(16)6-4-11/h8-12H,1-7H3,(H,25,26);2-10H,1H3,(H,25,26);5-9H,1-4H3,(H,25,26);5-8H,1-4H3,(H,23,24);4-9H,1-3H3,(H,19,20);3-8H,1-2H3,(H,19,20)
InChIKeyFUNSABCVPICIST-UHFFFAOYSA-N
XLogP24.96
TPSA365.43 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001927.17
LogP ≤ 524.96
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze 2-tert-butyl-4-(4-tert-butylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine;2-tert-butyl-4-(2,4-difluorophenyl)-6-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine;2-tert-butyl-4-(5-methyl-1H-pyrazol-3-yl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2-(4-fluorophenyl)-4-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine;4-methyl-2-(4-methylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine;4-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]quinazoline with MolForge

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Related Compounds

CID 157125510
CID 157125510
4-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-N,N-diphenylaniline;9-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]carbazole;3-[9-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;10-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9,9-dimethylacridine;9-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,8-dimethylcarbazole;9-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3,6-dimethylcarbazole;9-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3,6,8-tetramethylcarbazole
CID 157958470
Bis(4-(3-tert-butylpyrazol-1-id-5-yl)quinazoline);tris(4-(5-methylpyrazol-2-id-3-yl)quinazoline);tetrakis(platinum(2+));bis(4-(4,5,6,7-tetrahydroindazol-2-id-3-yl)quinazoline);4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]quinazoline
CID 158165180
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-piperidin-1-yl-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine
CID 158218994
N-[6-cyclohexyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-4-amine;N-[6-(2-fluorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
CID 158349149
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-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine
CID 158681456
N-(5,7-difluoro-1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine;N-(1H-indazol-3-yl)-2-phenylquinolin-4-amine;N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine;N-(5-methyl-1H-pyrazol-3-yl)-3-phenylisoquinolin-1-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinolin-4-amine
CID 158746811
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
3,6-di(carbazol-9-yl)-9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]carbazole;4-[2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-N,N-diphenylaniline;9-[4-[2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]carbazole;10-[4-[2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9,9-dimethylacridine;9-[4-[2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3,6-dimethylcarbazole;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 158916002
8-N-(2-aminoethyl)-4-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,8-diamine;4-N-(7-fluoro-1H-indazol-3-yl)-6-N-[2-(methylamino)ethyl]-2-[2-(trifluoromethyl)phenyl]quinazoline-4,6-diamine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 158959683
N-(5,7-difluoro-1H-indazol-3-yl)-2-phenylquinazolin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-phenylquinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-phenylquinazolin-4-amine;N-(1H-indazol-3-yl)-2-[3-(trifluoromethyl)phenyl]quinazolin-4-amine;2-phenyl-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine
CID 159196956

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(4-tert-butylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine;2-tert-butyl-4-(2,4-difluorophenyl)-6-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine;2-tert-butyl-4-(5-methyl-1H-pyrazol-3-yl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2-(4-fluorophenyl)-4-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine;4-methyl-2-(4-methylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine;4-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]quinazoline?
The IUPAC name of 2-tert-butyl-4-(4-tert-butylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine;2-tert-butyl-4-(2,4-difluorophenyl)-6-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine;2-tert-butyl-4-(5-methyl-1H-pyrazol-3-yl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2-(4-fluorophenyl)-4-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine;4-methyl-2-(4-methylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine;4-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]quinazoline (CID 158146145) is 2-tert-butyl-4-(4-tert-butylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine;2-tert-butyl-4-(2,4-difluorophenyl)-6-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine;2-tert-butyl-4-(5-methyl-1H-pyrazol-3-yl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2-(4-fluorophenyl)-4-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine;4-methyl-2-(4-methylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine;4-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]quinazoline.
What is the SMILES notation for 2-tert-butyl-4-(4-tert-butylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine;2-tert-butyl-4-(2,4-difluorophenyl)-6-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine;2-tert-butyl-4-(5-methyl-1H-pyrazol-3-yl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2-(4-fluorophenyl)-4-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine;4-methyl-2-(4-methylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine;4-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]quinazoline?
The canonical SMILES for 2-tert-butyl-4-(4-tert-butylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine;2-tert-butyl-4-(2,4-difluorophenyl)-6-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine;2-tert-butyl-4-(5-methyl-1H-pyrazol-3-yl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2-(4-fluorophenyl)-4-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine;4-methyl-2-(4-methylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine;4-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]quinazoline is Cc1cc(-c2cc(C)[nH]n2)nc(-c2ccc(F)cc2)n1.Cc1cc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(C(C)(C)C)n2)n[nH]1.Cc1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)nc(C(C)(C)C)n2)n[nH]1.Cc1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)nc3ccccc23)n[nH]1.Cc1cc(-c2nc(-c3ccc(F)cc3F)nc(C(C)(C)C)n2)n[nH]1.Cc1ccc(-c2nc(C)cc(-c3cc(C)[nH]n3)n2)cc1.
What is the InChIKey of 2-tert-butyl-4-(4-tert-butylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine;2-tert-butyl-4-(2,4-difluorophenyl)-6-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine;2-tert-butyl-4-(5-methyl-1H-pyrazol-3-yl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2-(4-fluorophenyl)-4-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine;4-methyl-2-(4-methylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine;4-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]quinazoline?
The InChIKey is FUNSABCVPICIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5.C19H13F3N4.C18H18F3N5.C17H17F2N5.C16H16N4.C15H13FN4/c1-13-12-16(26-25-13)18-22-17(23-19(24-18)21(5,6)7)14-8-10-15(11-9-14)20(2,3)4;1-11-10-16(26-25-11)17-14-4-2-3-5-15(14)23-18(24-17)12-6-8-13(9-7-12)19(20,21)22;1-10-9-13(26-25-10)15-22-14(23-16(24-15)17(2,3)4)11-5-7-12(8-6-11)18(19,20)21;1-9-7-13(24-23-9)15-20-14(21-16(22-15)17(2,3)4)11-6-5-10(18)8-12(11)19;1-10-4-6-13(7-5-10)16-17-11(2)8-14(18-16)15-9-12(3)19-20-15;1-9-7-13(14-8-10(2)19-20-14)18-15(17-9)11-3-5-12(16)6-4-11/h8-12H,1-7H3,(H,25,26);2-10H,1H3,(H,25,26);5-9H,1-4H3,(H,25,26);5-8H,1-4H3,(H,23,24);4-9H,1-3H3,(H,19,20);3-8H,1-2H3,(H,19,20).
What are the key properties of 2-tert-butyl-4-(4-tert-butylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine;2-tert-butyl-4-(2,4-difluorophenyl)-6-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine;2-tert-butyl-4-(5-methyl-1H-pyrazol-3-yl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2-(4-fluorophenyl)-4-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine;4-methyl-2-(4-methylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine;4-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]quinazoline?
2-tert-butyl-4-(4-tert-butylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine;2-tert-butyl-4-(2,4-difluorophenyl)-6-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine;2-tert-butyl-4-(5-methyl-1H-pyrazol-3-yl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2-(4-fluorophenyl)-4-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine;4-methyl-2-(4-methylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine;4-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]quinazoline has a molecular weight of 1927.17 g/mol, XLogP of 24.96, 12 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(4-tert-butylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine;2-tert-butyl-4-(2,4-difluorophenyl)-6-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine;2-tert-butyl-4-(5-methyl-1H-pyrazol-3-yl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2-(4-fluorophenyl)-4-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine;4-methyl-2-(4-methylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine;4-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]quinazoline is sourced from PubChem (CID 158146145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).