6-[4-(diethylaminomethyl)piperidin-1-yl]-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimido[5,4-d]pyrimidin-4-amine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-[1-(2-methoxyethyl)piperidin-4-yl]pyrimido[5,4-d]pyrimidine-4,6-diamine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-(1-methylpiperidin-4-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-(4-piperidin-1-ylcyclohexyl)pyrimido[5,4-d]pyrimidine-4,6-diamine;methane

C150H206F12N42O14S6 — CID 160940881

IUPAC6-[4-(diethylaminomethyl)piperidin-1-yl]-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimido[5,4-d]pyrimidin-4-amine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-[1-(2-methoxyethyl)piperidin-4-yl]pyrimido[5,4-d]pyrimidine-4,6-diamine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-(1-methylpiperidin-4-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-(4-piperidin-1-ylcyclohexyl)pyrimido[5,4-d]pyrimidine-4,6-diamine;methane
SMILESC.C.C.C.C.CCCS(=O)(=O)Cc1ccc(F)c(Nc2ncnc3cnc(N4CCC(CN(CC)CC)CC4)nc23)c1F.CCCS(=O)(=O)Cc1ccc(F)c(Nc2ncnc3cnc(N4CCN(CCN(C)C)CC4)nc23)c1F.CCCS(=O)(=O)Cc1ccc(F)c(Nc2ncnc3cnc(N4C[C@@H](C)O[C@@H](C)C4)nc23)c1F.CCCS(=O)(=O)Cc1ccc(F)c(Nc2ncnc3cnc(NC4CCC(N5CCCCC5)CC4)nc23)c1F.CCCS(=O)(=O)Cc1ccc(F)c(Nc2ncnc3cnc(NC4CCN(C)CC4)nc23)c1F.CCCS(=O)(=O)Cc1ccc(F)c(Nc2ncnc3cnc(NC4CCN(CCOC)CC4)nc23)c1F
InChIInChI=1S/C27H35F2N7O2S.C26H35F2N7O2S.C24H32F2N8O2S.C24H31F2N7O3S.C22H27F2N7O2S.C22H26F2N6O3S.5CH4/c1-2-14-39(37,38)16-18-6-11-21(28)24(23(18)29)34-26-25-22(31-17-32-26)15-30-27(35-25)33-19-7-9-20(10-8-19)36-12-4-3-5-13-36;1-4-13-38(36,37)16-19-7-8-20(27)23(22(19)28)32-25-24-21(30-17-31-25)14-29-26(33-24)35-11-9-18(10-12-35)15-34(5-2)6-3;1-4-13-37(35,36)15-17-5-6-18(25)21(20(17)26)30-23-22-19(28-16-29-23)14-27-24(31-22)34-11-9-33(10-12-34)8-7-32(2)3;1-3-12-37(34,35)14-16-4-5-18(25)21(20(16)26)31-23-22-19(28-15-29-23)13-27-24(32-22)30-17-6-8-33(9-7-17)10-11-36-2;1-3-10-34(32,33)12-14-4-5-16(23)19(18(14)24)29-21-20-17(26-13-27-21)11-25-22(30-20)28-15-6-8-31(2)9-7-15;1-4-7-34(31,32)11-15-5-6-16(23)19(18(15)24)28-21-20-17(26-12-27-21)8-25-22(29-20)30-9-13(2)33-14(3)10-30;;;;;/h6,11,15,17,19-20H,2-5,7-10,12-14,16H2,1H3,(H,30,33,35)(H,31,32,34);7-8,14,17-18H,4-6,9-13,15-16H2,1-3H3,(H,30,31,32);5-6,14,16H,4,7-13,15H2,1-3H3,(H,28,29,30);4-5,13,15,17H,3,6-12,14H2,1-2H3,(H,27,30,32)(H,28,29,31);4-5,11,13,15H,3,6-10,12H2,1-2H3,(H,25,28,30)(H,26,27,29);5-6,8,12-14H,4,7,9-11H2,1-3H3,(H,26,27,28);5*1H4/t;;;;;13-,14+;;;;;
InChIKeySUMMPVVVZMNJFZ-RDXUDLAOSA-N
MW3241.96 g/mol
LogP24.87
Rot. Bonds56

About 6-[4-(diethylaminomethyl)piperidin-1-yl]-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimido[5,4-d]pyrimidin-4-amine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-[1-(2-methoxyethyl)piperidin-4-yl]pyrimido[5,4-d]pyrimidine-4,6-diamine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-(1-methylpiperidin-4-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-(4-piperidin-1-ylcyclohexyl)pyrimido[5,4-d]pyrimidine-4,6-diamine;methane

6-[4-(diethylaminomethyl)piperidin-1-yl]-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimido[5,4-d]pyrimidin-4-amine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-[1-(2-methoxyethyl)piperidin-4-yl]pyrimido[5,4-d]pyrimidine-4,6-diamine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-(1-methylpiperidin-4-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-(4-piperidin-1-ylcyclohexyl)pyrimido[5,4-d]pyrimidine-4,6-diamine;methane (PubChem CID 160940881) has the molecular formula C150H206F12N42O14S6 and a molecular weight of 3241.96 g/mol. Its IUPAC name is 6-[4-(diethylaminomethyl)piperidin-1-yl]-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimido[5,4-d]pyrimidin-4-amine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-[1-(2-methoxyethyl)piperidin-4-yl]pyrimido[5,4-d]pyrimidine-4,6-diamine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-(1-methylpiperidin-4-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-(4-piperidin-1-ylcyclohexyl)pyrimido[5,4-d]pyrimidine-4,6-diamine;methane.

Molecular Properties

Compound Name6-[4-(diethylaminomethyl)piperidin-1-yl]-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimido[5,4-d]pyrimidin-4-amine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-[1-(2-methoxyethyl)piperidin-4-yl]pyrimido[5,4-d]pyrimidine-4,6-diamine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-(1-methylpiperidin-4-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-(4-piperidin-1-ylcyclohexyl)pyrimido[5,4-d]pyrimidine-4,6-diamine;methane
PubChem CID160940881
Molecular FormulaC150H206F12N42O14S6
Molecular Weight3241.96 g/mol
Exact Mass3239.48
IUPAC Name6-[4-(diethylaminomethyl)piperidin-1-yl]-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimido[5,4-d]pyrimidin-4-amine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-[1-(2-methoxyethyl)piperidin-4-yl]pyrimido[5,4-d]pyrimidine-4,6-diamine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-(1-methylpiperidin-4-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-(4-piperidin-1-ylcyclohexyl)pyrimido[5,4-d]pyrimidine-4,6-diamine;methane
SMILESC.C.C.C.C.CCCS(=O)(=O)Cc1ccc(F)c(Nc2ncnc3cnc(N4CCC(CN(CC)CC)CC4)nc23)c1F.CCCS(=O)(=O)Cc1ccc(F)c(Nc2ncnc3cnc(N4CCN(CCN(C)C)CC4)nc23)c1F.CCCS(=O)(=O)Cc1ccc(F)c(Nc2ncnc3cnc(N4C[C@@H](C)O[C@@H](C)C4)nc23)c1F.CCCS(=O)(=O)Cc1ccc(F)c(Nc2ncnc3cnc(NC4CCC(N5CCCCC5)CC4)nc23)c1F.CCCS(=O)(=O)Cc1ccc(F)c(Nc2ncnc3cnc(NC4CCN(C)CC4)nc23)c1F.CCCS(=O)(=O)Cc1ccc(F)c(Nc2ncnc3cnc(NC4CCN(CCOC)CC4)nc23)c1F
InChIInChI=1S/C27H35F2N7O2S.C26H35F2N7O2S.C24H32F2N8O2S.C24H31F2N7O3S.C22H27F2N7O2S.C22H26F2N6O3S.5CH4/c1-2-14-39(37,38)16-18-6-11-21(28)24(23(18)29)34-26-25-22(31-17-32-26)15-30-27(35-25)33-19-7-9-20(10-8-19)36-12-4-3-5-13-36;1-4-13-38(36,37)16-19-7-8-20(27)23(22(19)28)32-25-24-21(30-17-31-25)14-29-26(33-24)35-11-9-18(10-12-35)15-34(5-2)6-3;1-4-13-37(35,36)15-17-5-6-18(25)21(20(17)26)30-23-22-19(28-16-29-23)14-27-24(31-22)34-11-9-33(10-12-34)8-7-32(2)3;1-3-12-37(34,35)14-16-4-5-18(25)21(20(16)26)31-23-22-19(28-15-29-23)13-27-24(32-22)30-17-6-8-33(9-7-17)10-11-36-2;1-3-10-34(32,33)12-14-4-5-16(23)19(18(14)24)29-21-20-17(26-13-27-21)11-25-22(30-20)28-15-6-8-31(2)9-7-15;1-4-7-34(31,32)11-15-5-6-16(23)19(18(15)24)28-21-20-17(26-12-27-21)8-25-22(29-20)30-9-13(2)33-14(3)10-30;;;;;/h6,11,15,17,19-20H,2-5,7-10,12-14,16H2,1H3,(H,30,33,35)(H,31,32,34);7-8,14,17-18H,4-6,9-13,15-16H2,1-3H3,(H,30,31,32);5-6,14,16H,4,7-13,15H2,1-3H3,(H,28,29,30);4-5,13,15,17H,3,6-12,14H2,1-2H3,(H,27,30,32)(H,28,29,31);4-5,11,13,15H,3,6-10,12H2,1-2H3,(H,25,28,30)(H,26,27,29);5-6,8,12-14H,4,7,9-11H2,1-3H3,(H,26,27,28);5*1H4/t;;;;;13-,14+;;;;;
InChIKeySUMMPVVVZMNJFZ-RDXUDLAOSA-N
XLogP24.87
TPSA670.09 Ų
H-Bond Donors9
H-Bond Acceptors56
Rotatable Bonds56
Heavy Atoms224
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003241.96
LogP ≤ 524.87
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1056

Analyze 6-[4-(diethylaminomethyl)piperidin-1-yl]-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimido[5,4-d]pyrimidin-4-amine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-[1-(2-methoxyethyl)piperidin-4-yl]pyrimido[5,4-d]pyrimidine-4,6-diamine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-(1-methylpiperidin-4-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-(4-piperidin-1-ylcyclohexyl)pyrimido[5,4-d]pyrimidine-4,6-diamine;methane with MolForge

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Related Compounds

2-[(2,6-dimethylmorpholin-4-yl)methyl]-7-[3-(trifluoromethyl)pyridin-2-yl]-N-[4-(trifluoromethylsulfonyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 22030155
2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(4-propylsulfonylphenyl)-7-[3-(trifluoromethyl)pyridin-2-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 22030203
2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(4-propan-2-ylsulfonylphenyl)-7-[3-(trifluoromethyl)pyridin-2-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 22030391
2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(4-methylsulfonylphenyl)-7-[3-(trifluoromethyl)pyridin-2-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 22030440
N-(5-(1,1-Dioxido-4-thiomorpholinyl)-2-(4-morpholinyl)-3-pyridinyl)-7-fluoro-3-methyl-2-(2-pyridinyl)-4-quinolinamine
CID 50905717
2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(4-methylsulfonylphenyl)-7-[3-(trifluoromethyl)pyridin-2-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 58665863
2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-(4-propylsulfonylphenyl)-7-[3-(trifluoromethyl)pyridin-2-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 58665889
2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-(4-propan-2-ylsulfonylphenyl)-7-[3-(trifluoromethyl)pyridin-2-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 58665907
2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-7-[3-(trifluoromethyl)pyridin-2-yl]-N-[4-(trifluoromethylsulfonyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 58665930
7-[4-(4-ethylsulfonylpiperazin-1-yl)-3-fluorophenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113532
N-[(1,1-dioxo-1,4-thiazinan-2-yl)methyl]-7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine
CID 71114139
7-[4-(4-ethylsulfonylpiperazin-1-yl)-3-fluorophenyl]-N-(morpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 78012300

Frequently Asked Questions

What is the IUPAC name of 6-[4-(diethylaminomethyl)piperidin-1-yl]-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimido[5,4-d]pyrimidin-4-amine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-[1-(2-methoxyethyl)piperidin-4-yl]pyrimido[5,4-d]pyrimidine-4,6-diamine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-(1-methylpiperidin-4-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-(4-piperidin-1-ylcyclohexyl)pyrimido[5,4-d]pyrimidine-4,6-diamine;methane?
The IUPAC name of 6-[4-(diethylaminomethyl)piperidin-1-yl]-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimido[5,4-d]pyrimidin-4-amine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-[1-(2-methoxyethyl)piperidin-4-yl]pyrimido[5,4-d]pyrimidine-4,6-diamine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-(1-methylpiperidin-4-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-(4-piperidin-1-ylcyclohexyl)pyrimido[5,4-d]pyrimidine-4,6-diamine;methane (CID 160940881) is 6-[4-(diethylaminomethyl)piperidin-1-yl]-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimido[5,4-d]pyrimidin-4-amine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-[1-(2-methoxyethyl)piperidin-4-yl]pyrimido[5,4-d]pyrimidine-4,6-diamine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-(1-methylpiperidin-4-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-(4-piperidin-1-ylcyclohexyl)pyrimido[5,4-d]pyrimidine-4,6-diamine;methane.
What is the SMILES notation for 6-[4-(diethylaminomethyl)piperidin-1-yl]-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimido[5,4-d]pyrimidin-4-amine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-[1-(2-methoxyethyl)piperidin-4-yl]pyrimido[5,4-d]pyrimidine-4,6-diamine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-(1-methylpiperidin-4-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-(4-piperidin-1-ylcyclohexyl)pyrimido[5,4-d]pyrimidine-4,6-diamine;methane?
The canonical SMILES for 6-[4-(diethylaminomethyl)piperidin-1-yl]-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimido[5,4-d]pyrimidin-4-amine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-[1-(2-methoxyethyl)piperidin-4-yl]pyrimido[5,4-d]pyrimidine-4,6-diamine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-(1-methylpiperidin-4-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-(4-piperidin-1-ylcyclohexyl)pyrimido[5,4-d]pyrimidine-4,6-diamine;methane is C.C.C.C.C.CCCS(=O)(=O)Cc1ccc(F)c(Nc2ncnc3cnc(N4CCC(CN(CC)CC)CC4)nc23)c1F.CCCS(=O)(=O)Cc1ccc(F)c(Nc2ncnc3cnc(N4CCN(CCN(C)C)CC4)nc23)c1F.CCCS(=O)(=O)Cc1ccc(F)c(Nc2ncnc3cnc(N4C[C@@H](C)O[C@@H](C)C4)nc23)c1F.CCCS(=O)(=O)Cc1ccc(F)c(Nc2ncnc3cnc(NC4CCC(N5CCCCC5)CC4)nc23)c1F.CCCS(=O)(=O)Cc1ccc(F)c(Nc2ncnc3cnc(NC4CCN(C)CC4)nc23)c1F.CCCS(=O)(=O)Cc1ccc(F)c(Nc2ncnc3cnc(NC4CCN(CCOC)CC4)nc23)c1F.
What is the InChIKey of 6-[4-(diethylaminomethyl)piperidin-1-yl]-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimido[5,4-d]pyrimidin-4-amine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-[1-(2-methoxyethyl)piperidin-4-yl]pyrimido[5,4-d]pyrimidine-4,6-diamine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-(1-methylpiperidin-4-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-(4-piperidin-1-ylcyclohexyl)pyrimido[5,4-d]pyrimidine-4,6-diamine;methane?
The InChIKey is SUMMPVVVZMNJFZ-RDXUDLAOSA-N. The full InChI is InChI=1S/C27H35F2N7O2S.C26H35F2N7O2S.C24H32F2N8O2S.C24H31F2N7O3S.C22H27F2N7O2S.C22H26F2N6O3S.5CH4/c1-2-14-39(37,38)16-18-6-11-21(28)24(23(18)29)34-26-25-22(31-17-32-26)15-30-27(35-25)33-19-7-9-20(10-8-19)36-12-4-3-5-13-36;1-4-13-38(36,37)16-19-7-8-20(27)23(22(19)28)32-25-24-21(30-17-31-25)14-29-26(33-24)35-11-9-18(10-12-35)15-34(5-2)6-3;1-4-13-37(35,36)15-17-5-6-18(25)21(20(17)26)30-23-22-19(28-16-29-23)14-27-24(31-22)34-11-9-33(10-12-34)8-7-32(2)3;1-3-12-37(34,35)14-16-4-5-18(25)21(20(16)26)31-23-22-19(28-15-29-23)13-27-24(32-22)30-17-6-8-33(9-7-17)10-11-36-2;1-3-10-34(32,33)12-14-4-5-16(23)19(18(14)24)29-21-20-17(26-13-27-21)11-25-22(30-20)28-15-6-8-31(2)9-7-15;1-4-7-34(31,32)11-15-5-6-16(23)19(18(15)24)28-21-20-17(26-12-27-21)8-25-22(29-20)30-9-13(2)33-14(3)10-30;;;;;/h6,11,15,17,19-20H,2-5,7-10,12-14,16H2,1H3,(H,30,33,35)(H,31,32,34);7-8,14,17-18H,4-6,9-13,15-16H2,1-3H3,(H,30,31,32);5-6,14,16H,4,7-13,15H2,1-3H3,(H,28,29,30);4-5,13,15,17H,3,6-12,14H2,1-2H3,(H,27,30,32)(H,28,29,31);4-5,11,13,15H,3,6-10,12H2,1-2H3,(H,25,28,30)(H,26,27,29);5-6,8,12-14H,4,7,9-11H2,1-3H3,(H,26,27,28);5*1H4/t;;;;;13-,14+;;;;;.
What are the key properties of 6-[4-(diethylaminomethyl)piperidin-1-yl]-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimido[5,4-d]pyrimidin-4-amine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-[1-(2-methoxyethyl)piperidin-4-yl]pyrimido[5,4-d]pyrimidine-4,6-diamine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-(1-methylpiperidin-4-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-(4-piperidin-1-ylcyclohexyl)pyrimido[5,4-d]pyrimidine-4,6-diamine;methane?
6-[4-(diethylaminomethyl)piperidin-1-yl]-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimido[5,4-d]pyrimidin-4-amine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-[1-(2-methoxyethyl)piperidin-4-yl]pyrimido[5,4-d]pyrimidine-4,6-diamine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-(1-methylpiperidin-4-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-(4-piperidin-1-ylcyclohexyl)pyrimido[5,4-d]pyrimidine-4,6-diamine;methane has a molecular weight of 3241.96 g/mol, XLogP of 24.87, 56 rotatable bonds, 9 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(diethylaminomethyl)piperidin-1-yl]-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimido[5,4-d]pyrimidin-4-amine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-[1-(2-methoxyethyl)piperidin-4-yl]pyrimido[5,4-d]pyrimidine-4,6-diamine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-(1-methylpiperidin-4-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-(4-piperidin-1-ylcyclohexyl)pyrimido[5,4-d]pyrimidine-4,6-diamine;methane is sourced from PubChem (CID 160940881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).