2-[(E)-2-(3,4-difluoro-5-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-N-(furan-2-ylmethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;6-N-(2-methoxyethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-[(E)-2-(4-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,5-diamine

C106H122F2N34O3 — CID 160576989

IUPAC2-[(E)-2-(3,4-difluoro-5-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-N-(furan-2-ylmethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;6-N-(2-methoxyethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-[(E)-2-(4-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,5-diamine
SMILESCOCCNc1cc(Nc2cc(C)[nH]n2)nc(/C=C/c2ccccc2)n1.COc1ccc(/C=C/c2nc(Nc3cc(C)[nH]n3)cc(N3CCN(C)CC3)n2)cc1.Cc1cc(Nc2cc(N3CCN(C)CC3)nc(/C=C/c3cc(C)c(F)c(F)c3)n2)n[nH]1.Cc1cc(Nc2cc(NCc3ccco3)nc(/C=C/c3ccccc3)n2)n[nH]1.Cc1ccc(/C=C/c2nc(Nc3cc(C)[nH]n3)c(N)c(N3CCN(C)CC3)n2)cc1
InChIInChI=1S/C22H25F2N7.C22H28N8.C22H27N7O.C21H20N6O.C19H22N6O/c1-14-10-16(12-17(23)22(14)24)4-5-18-25-19(26-20-11-15(2)28-29-20)13-21(27-18)31-8-6-30(3)7-9-31;1-15-4-6-17(7-5-15)8-9-18-24-21(25-19-14-16(2)27-28-19)20(23)22(26-18)30-12-10-29(3)11-13-30;1-16-14-21(27-26-16)24-20-15-22(29-12-10-28(2)11-13-29)25-19(23-20)9-6-17-4-7-18(30-3)8-5-17;1-15-12-21(27-26-15)25-20-13-19(22-14-17-8-5-11-28-17)23-18(24-20)10-9-16-6-3-2-4-7-16;1-14-12-19(25-24-14)23-18-13-17(20-10-11-26-2)21-16(22-18)9-8-15-6-4-3-5-7-15/h4-5,10-13H,6-9H2,1-3H3,(H2,25,26,27,28,29);4-9,14H,10-13,23H2,1-3H3,(H2,24,25,26,27,28);4-9,14-15H,10-13H2,1-3H3,(H2,23,24,25,26,27);2-13H,14H2,1H3,(H3,22,23,24,25,26,27);3-9,12-13H,10-11H2,1-2H3,(H3,20,21,22,23,24,25)/b5-4+;9-8+;9-6+;10-9+;9-8+
InChIKeyRBGWORSVPSKEPZ-BZQODIIISA-N
MW1958.37 g/mol
LogP18.12
Rot. Bonds31

About 2-[(E)-2-(3,4-difluoro-5-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-N-(furan-2-ylmethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;6-N-(2-methoxyethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-[(E)-2-(4-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,5-diamine

2-[(E)-2-(3,4-difluoro-5-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-N-(furan-2-ylmethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;6-N-(2-methoxyethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-[(E)-2-(4-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,5-diamine (PubChem CID 160576989) has the molecular formula C106H122F2N34O3 and a molecular weight of 1958.37 g/mol. Its IUPAC name is 2-[(E)-2-(3,4-difluoro-5-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-N-(furan-2-ylmethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;6-N-(2-methoxyethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-[(E)-2-(4-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-[(E)-2-(3,4-difluoro-5-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-N-(furan-2-ylmethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;6-N-(2-methoxyethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-[(E)-2-(4-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,5-diamine
PubChem CID160576989
Molecular FormulaC106H122F2N34O3
Molecular Weight1958.37 g/mol
Exact Mass1957.04
IUPAC Name2-[(E)-2-(3,4-difluoro-5-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-N-(furan-2-ylmethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;6-N-(2-methoxyethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-[(E)-2-(4-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,5-diamine
SMILESCOCCNc1cc(Nc2cc(C)[nH]n2)nc(/C=C/c2ccccc2)n1.COc1ccc(/C=C/c2nc(Nc3cc(C)[nH]n3)cc(N3CCN(C)CC3)n2)cc1.Cc1cc(Nc2cc(N3CCN(C)CC3)nc(/C=C/c3cc(C)c(F)c(F)c3)n2)n[nH]1.Cc1cc(Nc2cc(NCc3ccco3)nc(/C=C/c3ccccc3)n2)n[nH]1.Cc1ccc(/C=C/c2nc(Nc3cc(C)[nH]n3)c(N)c(N3CCN(C)CC3)n2)cc1
InChIInChI=1S/C22H25F2N7.C22H28N8.C22H27N7O.C21H20N6O.C19H22N6O/c1-14-10-16(12-17(23)22(14)24)4-5-18-25-19(26-20-11-15(2)28-29-20)13-21(27-18)31-8-6-30(3)7-9-31;1-15-4-6-17(7-5-15)8-9-18-24-21(25-19-14-16(2)27-28-19)20(23)22(26-18)30-12-10-29(3)11-13-30;1-16-14-21(27-26-16)24-20-15-22(29-12-10-28(2)11-13-29)25-19(23-20)9-6-17-4-7-18(30-3)8-5-17;1-15-12-21(27-26-15)25-20-13-19(22-14-17-8-5-11-28-17)23-18(24-20)10-9-16-6-3-2-4-7-16;1-14-12-19(25-24-14)23-18-13-17(20-10-11-26-2)21-16(22-18)9-8-15-6-4-3-5-7-15/h4-5,10-13H,6-9H2,1-3H3,(H2,25,26,27,28,29);4-9,14H,10-13,23H2,1-3H3,(H2,24,25,26,27,28);4-9,14-15H,10-13H2,1-3H3,(H2,23,24,25,26,27);2-13H,14H2,1H3,(H3,22,23,24,25,26,27);3-9,12-13H,10-11H2,1-2H3,(H3,20,21,22,23,24,25)/b5-4+;9-8+;9-6+;10-9+;9-8+
InChIKeyRBGWORSVPSKEPZ-BZQODIIISA-N
XLogP18.12
TPSA433.57 Ų
H-Bond Donors13
H-Bond Acceptors32
Rotatable Bonds31
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001958.37
LogP ≤ 518.12
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(E)-2-(3,4-difluoro-5-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-N-(furan-2-ylmethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;6-N-(2-methoxyethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-[(E)-2-(4-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,5-diamine with MolForge

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Related Compounds

3-[4-(1,1-difluoroethoxy)phenyl]-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]propan-1-one;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 157956965
4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-[1-(2,4-difluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-ethyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;ethyl 3-[[4-[1-(2,4-difluorophenyl)ethylamino]-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate
CID 159168857
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]morpholine;[4-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 159655361
3-[4-(1,1-difluoroethoxy)phenyl]-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]propan-1-one;N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;2-methyl-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 160285714
4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-[1-(2,4-difluorophenyl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-ethyl-1H-pyrazol-3-yl)-6-methyl-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-methyl-4-N-(5-propyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-methyl-4-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;ethyl 3-[[4-[1-(2,4-difluorophenyl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate
CID 160378280
CID 160965532
CID 160965532
4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;ethyl 3-[[4-[1-(4-fluorophenyl)ethylamino]-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate;4-N-(5-ethyl-1H-pyrazol-3-yl)-2-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine
CID 162092802
3-[4-(1,1-difluoroethoxy)phenyl]-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]propan-1-one;N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 164985706
CID 165107533
CID 165107533
CID 167658836
CID 167658836
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-ethoxyphenyl)methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide
CID 157194187
7-[3-[[4-(4-Butoxyphenyl)piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[1-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[5-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-pyridinyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[5-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]-3-pyridinyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[5-[[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[4-(3-methylbutoxy)phenyl]piperazin-1-yl]methyl]cyclohexa-1,5-dien-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 157196014

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3,4-difluoro-5-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-N-(furan-2-ylmethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;6-N-(2-methoxyethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-[(E)-2-(4-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,5-diamine?
The IUPAC name of 2-[(E)-2-(3,4-difluoro-5-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-N-(furan-2-ylmethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;6-N-(2-methoxyethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-[(E)-2-(4-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,5-diamine (CID 160576989) is 2-[(E)-2-(3,4-difluoro-5-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-N-(furan-2-ylmethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;6-N-(2-methoxyethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-[(E)-2-(4-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 2-[(E)-2-(3,4-difluoro-5-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-N-(furan-2-ylmethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;6-N-(2-methoxyethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-[(E)-2-(4-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 2-[(E)-2-(3,4-difluoro-5-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-N-(furan-2-ylmethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;6-N-(2-methoxyethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-[(E)-2-(4-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,5-diamine is COCCNc1cc(Nc2cc(C)[nH]n2)nc(/C=C/c2ccccc2)n1.COc1ccc(/C=C/c2nc(Nc3cc(C)[nH]n3)cc(N3CCN(C)CC3)n2)cc1.Cc1cc(Nc2cc(N3CCN(C)CC3)nc(/C=C/c3cc(C)c(F)c(F)c3)n2)n[nH]1.Cc1cc(Nc2cc(NCc3ccco3)nc(/C=C/c3ccccc3)n2)n[nH]1.Cc1ccc(/C=C/c2nc(Nc3cc(C)[nH]n3)c(N)c(N3CCN(C)CC3)n2)cc1.
What is the InChIKey of 2-[(E)-2-(3,4-difluoro-5-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-N-(furan-2-ylmethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;6-N-(2-methoxyethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-[(E)-2-(4-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,5-diamine?
The InChIKey is RBGWORSVPSKEPZ-BZQODIIISA-N. The full InChI is InChI=1S/C22H25F2N7.C22H28N8.C22H27N7O.C21H20N6O.C19H22N6O/c1-14-10-16(12-17(23)22(14)24)4-5-18-25-19(26-20-11-15(2)28-29-20)13-21(27-18)31-8-6-30(3)7-9-31;1-15-4-6-17(7-5-15)8-9-18-24-21(25-19-14-16(2)27-28-19)20(23)22(26-18)30-12-10-29(3)11-13-30;1-16-14-21(27-26-16)24-20-15-22(29-12-10-28(2)11-13-29)25-19(23-20)9-6-17-4-7-18(30-3)8-5-17;1-15-12-21(27-26-15)25-20-13-19(22-14-17-8-5-11-28-17)23-18(24-20)10-9-16-6-3-2-4-7-16;1-14-12-19(25-24-14)23-18-13-17(20-10-11-26-2)21-16(22-18)9-8-15-6-4-3-5-7-15/h4-5,10-13H,6-9H2,1-3H3,(H2,25,26,27,28,29);4-9,14H,10-13,23H2,1-3H3,(H2,24,25,26,27,28);4-9,14-15H,10-13H2,1-3H3,(H2,23,24,25,26,27);2-13H,14H2,1H3,(H3,22,23,24,25,26,27);3-9,12-13H,10-11H2,1-2H3,(H3,20,21,22,23,24,25)/b5-4+;9-8+;9-6+;10-9+;9-8+.
What are the key properties of 2-[(E)-2-(3,4-difluoro-5-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-N-(furan-2-ylmethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;6-N-(2-methoxyethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-[(E)-2-(4-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,5-diamine?
2-[(E)-2-(3,4-difluoro-5-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-N-(furan-2-ylmethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;6-N-(2-methoxyethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-[(E)-2-(4-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,5-diamine has a molecular weight of 1958.37 g/mol, XLogP of 18.12, 31 rotatable bonds, 13 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3,4-difluoro-5-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-N-(furan-2-ylmethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;6-N-(2-methoxyethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-[(E)-2-(4-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 160576989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).