6-N-cyclopentyl-4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]pyrimido[5,4-d]pyrimidine-4,6-diamine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N,6-N-dimethylpyrimido[5,4-d]pyrimidine-4,6-diamine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-pyrazol-1-ylpyrimido[5,4-d]pyrimidin-4-amine;methane

C138H178F12N40O12S6 — CID 159467744

IUPAC6-N-cyclopentyl-4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]pyrimido[5,4-d]pyrimidine-4,6-diamine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N,6-N-dimethylpyrimido[5,4-d]pyrimidine-4,6-diamine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-pyrazol-1-ylpyrimido[5,4-d]pyrimidin-4-amine;methane
SMILESC.C.C.C.C.CCCS(=O)(=O)Cc1ccc(F)c(Nc2ncnc3cnc(-n4cccn4)nc23)c1F.CCCS(=O)(=O)Cc1ccc(F)c(Nc2ncnc3cnc(N(C)C)nc23)c1F.CCCS(=O)(=O)Cc1ccc(F)c(Nc2ncnc3cnc(N4CCC(C(C)N(C)C)CC4)nc23)c1F.CCCS(=O)(=O)Cc1ccc(F)c(Nc2ncnc3cnc(N4CCC(CN(C)C)CC4)nc23)c1F.CCCS(=O)(=O)Cc1ccc(F)c(Nc2ncnc3cnc(N4CCC5(CCN(C)CC5)CC4)nc23)c1F.CCCS(=O)(=O)Cc1ccc(F)c(Nc2ncnc3cnc(NC4CCCC4)nc23)c1F
InChIInChI=1S/C26H33F2N7O2S.C25H33F2N7O2S.C24H31F2N7O2S.C21H24F2N6O2S.C19H17F2N7O2S.C18H20F2N6O2S.5CH4/c1-3-14-38(36,37)16-18-4-5-19(27)22(21(18)28)32-24-23-20(30-17-31-24)15-29-25(33-23)35-12-8-26(9-13-35)6-10-34(2)11-7-26;1-5-12-37(35,36)14-18-6-7-19(26)22(21(18)27)31-24-23-20(29-15-30-24)13-28-25(32-23)34-10-8-17(9-11-34)16(2)33(3)4;1-4-11-36(34,35)14-17-5-6-18(25)21(20(17)26)30-23-22-19(28-15-29-23)12-27-24(31-22)33-9-7-16(8-10-33)13-32(2)3;1-2-9-32(30,31)11-13-7-8-15(22)18(17(13)23)28-20-19-16(25-12-26-20)10-24-21(29-19)27-14-5-3-4-6-14;1-2-8-31(29,30)10-12-4-5-13(20)16(15(12)21)26-18-17-14(23-11-24-18)9-22-19(27-17)28-7-3-6-25-28;1-4-7-29(27,28)9-11-5-6-12(19)15(14(11)20)24-17-16-13(22-10-23-17)8-21-18(25-16)26(2)3;;;;;/h4-5,15,17H,3,6-14,16H2,1-2H3,(H,30,31,32);6-7,13,15-17H,5,8-12,14H2,1-4H3,(H,29,30,31);5-6,12,15-16H,4,7-11,13-14H2,1-3H3,(H,28,29,30);7-8,10,12,14H,2-6,9,11H2,1H3,(H,24,27,29)(H,25,26,28);3-7,9,11H,2,8,10H2,1H3,(H,23,24,26);5-6,8,10H,4,7,9H2,1-3H3,(H,22,23,24);5*1H4
InChIKeyLVKDNWZJYSICRO-UHFFFAOYSA-N
MW3009.59 g/mol
LogP24.64
Rot. Bonds47

About 6-N-cyclopentyl-4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]pyrimido[5,4-d]pyrimidine-4,6-diamine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N,6-N-dimethylpyrimido[5,4-d]pyrimidine-4,6-diamine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-pyrazol-1-ylpyrimido[5,4-d]pyrimidin-4-amine;methane

6-N-cyclopentyl-4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]pyrimido[5,4-d]pyrimidine-4,6-diamine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N,6-N-dimethylpyrimido[5,4-d]pyrimidine-4,6-diamine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-pyrazol-1-ylpyrimido[5,4-d]pyrimidin-4-amine;methane (PubChem CID 159467744) has the molecular formula C138H178F12N40O12S6 and a molecular weight of 3009.59 g/mol. Its IUPAC name is 6-N-cyclopentyl-4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]pyrimido[5,4-d]pyrimidine-4,6-diamine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N,6-N-dimethylpyrimido[5,4-d]pyrimidine-4,6-diamine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-pyrazol-1-ylpyrimido[5,4-d]pyrimidin-4-amine;methane.

Molecular Properties

Compound Name6-N-cyclopentyl-4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]pyrimido[5,4-d]pyrimidine-4,6-diamine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N,6-N-dimethylpyrimido[5,4-d]pyrimidine-4,6-diamine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-pyrazol-1-ylpyrimido[5,4-d]pyrimidin-4-amine;methane
PubChem CID159467744
Molecular FormulaC138H178F12N40O12S6
Molecular Weight3009.59 g/mol
Exact Mass3007.27
IUPAC Name6-N-cyclopentyl-4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]pyrimido[5,4-d]pyrimidine-4,6-diamine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N,6-N-dimethylpyrimido[5,4-d]pyrimidine-4,6-diamine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-pyrazol-1-ylpyrimido[5,4-d]pyrimidin-4-amine;methane
SMILESC.C.C.C.C.CCCS(=O)(=O)Cc1ccc(F)c(Nc2ncnc3cnc(-n4cccn4)nc23)c1F.CCCS(=O)(=O)Cc1ccc(F)c(Nc2ncnc3cnc(N(C)C)nc23)c1F.CCCS(=O)(=O)Cc1ccc(F)c(Nc2ncnc3cnc(N4CCC(C(C)N(C)C)CC4)nc23)c1F.CCCS(=O)(=O)Cc1ccc(F)c(Nc2ncnc3cnc(N4CCC(CN(C)C)CC4)nc23)c1F.CCCS(=O)(=O)Cc1ccc(F)c(Nc2ncnc3cnc(N4CCC5(CCN(C)CC5)CC4)nc23)c1F.CCCS(=O)(=O)Cc1ccc(F)c(Nc2ncnc3cnc(NC4CCCC4)nc23)c1F
InChIInChI=1S/C26H33F2N7O2S.C25H33F2N7O2S.C24H31F2N7O2S.C21H24F2N6O2S.C19H17F2N7O2S.C18H20F2N6O2S.5CH4/c1-3-14-38(36,37)16-18-4-5-19(27)22(21(18)28)32-24-23-20(30-17-31-24)15-29-25(33-23)35-12-8-26(9-13-35)6-10-34(2)11-7-26;1-5-12-37(35,36)14-18-6-7-19(26)22(21(18)27)31-24-23-20(29-15-30-24)13-28-25(32-23)34-10-8-17(9-11-34)16(2)33(3)4;1-4-11-36(34,35)14-17-5-6-18(25)21(20(17)26)30-23-22-19(28-15-29-23)12-27-24(31-22)33-9-7-16(8-10-33)13-32(2)3;1-2-9-32(30,31)11-13-7-8-15(22)18(17(13)23)28-20-19-16(25-12-26-20)10-24-21(29-19)27-14-5-3-4-6-14;1-2-8-31(29,30)10-12-4-5-13(20)16(15(12)21)26-18-17-14(23-11-24-18)9-22-19(27-17)28-7-3-6-25-28;1-4-7-29(27,28)9-11-5-6-12(19)15(14(11)20)24-17-16-13(22-10-23-17)8-21-18(25-16)26(2)3;;;;;/h4-5,15,17H,3,6-14,16H2,1-2H3,(H,30,31,32);6-7,13,15-17H,5,8-12,14H2,1-4H3,(H,29,30,31);5-6,12,15-16H,4,7-11,13-14H2,1-3H3,(H,28,29,30);7-8,10,12,14H,2-6,9,11H2,1H3,(H,24,27,29)(H,25,26,28);3-7,9,11H,2,8,10H2,1H3,(H,23,24,26);5-6,8,10H,4,7,9H2,1-3H3,(H,22,23,24);5*1H4
InChIKeyLVKDNWZJYSICRO-UHFFFAOYSA-N
XLogP24.64
TPSA638.91 Ų
H-Bond Donors7
H-Bond Acceptors52
Rotatable Bonds47
Heavy Atoms208
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003009.59
LogP ≤ 524.64
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1052

Analyze 6-N-cyclopentyl-4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]pyrimido[5,4-d]pyrimidine-4,6-diamine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N,6-N-dimethylpyrimido[5,4-d]pyrimidine-4,6-diamine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-pyrazol-1-ylpyrimido[5,4-d]pyrimidin-4-amine;methane with MolForge

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Related Compounds

4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(6-piperazin-1-yl-3-pyridinyl)pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(3-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine
CID 157129578
N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-(3-methylpyrazol-1-yl)pyrimido[5,4-d]pyrimidin-4-amine
CID 157373823
N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-(1,2,4-triazol-1-yl)pyrimido[5,4-d]pyrimidin-4-amine
CID 157415530
N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimido[5,4-d]pyrimidin-4-amine
CID 159040152
N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-pyrazol-1-ylpyrimido[5,4-d]pyrimidin-4-amine
CID 159467745
N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine
CID 160180549
4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(6-piperidin-1-yl-3-pyridinyl)pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(3-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;methane
CID 160659071
2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-[5-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]-4-N-[4-[(dimethylamino)methyl]cyclohexyl]pyridine-2,4-diamine
CID 175856543
4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N-(4-piperidin-1-ylcyclohexyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 160940886
4-N-(1-benzylindazol-5-yl)-6-N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)butyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 67610088
N,N-dimethyl-3-[(propan-2-ylamino)methyl]aniline;N,N-dimethyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine;N,N-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-3-amine;N,N-dimethyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine;tris(N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyridazin-3-yl]methanesulfonamide;N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyrimidin-5-yl]methanesulfonamide
CID 157106267
6-chloro-N-[2-[(2,5-dimethylpyrazol-3-yl)methylsulfonyl]ethyl]-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-(6-chloro-2-pyridinyl)ethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-pyridin-3-ylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-(pyridin-2-ylmethyl)ethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-pyrimidin-2-ylethanesulfonamide
CID 157531037

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopentyl-4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]pyrimido[5,4-d]pyrimidine-4,6-diamine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N,6-N-dimethylpyrimido[5,4-d]pyrimidine-4,6-diamine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-pyrazol-1-ylpyrimido[5,4-d]pyrimidin-4-amine;methane?
The IUPAC name of 6-N-cyclopentyl-4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]pyrimido[5,4-d]pyrimidine-4,6-diamine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N,6-N-dimethylpyrimido[5,4-d]pyrimidine-4,6-diamine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-pyrazol-1-ylpyrimido[5,4-d]pyrimidin-4-amine;methane (CID 159467744) is 6-N-cyclopentyl-4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]pyrimido[5,4-d]pyrimidine-4,6-diamine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N,6-N-dimethylpyrimido[5,4-d]pyrimidine-4,6-diamine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-pyrazol-1-ylpyrimido[5,4-d]pyrimidin-4-amine;methane.
What is the SMILES notation for 6-N-cyclopentyl-4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]pyrimido[5,4-d]pyrimidine-4,6-diamine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N,6-N-dimethylpyrimido[5,4-d]pyrimidine-4,6-diamine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-pyrazol-1-ylpyrimido[5,4-d]pyrimidin-4-amine;methane?
The canonical SMILES for 6-N-cyclopentyl-4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]pyrimido[5,4-d]pyrimidine-4,6-diamine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N,6-N-dimethylpyrimido[5,4-d]pyrimidine-4,6-diamine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-pyrazol-1-ylpyrimido[5,4-d]pyrimidin-4-amine;methane is C.C.C.C.C.CCCS(=O)(=O)Cc1ccc(F)c(Nc2ncnc3cnc(-n4cccn4)nc23)c1F.CCCS(=O)(=O)Cc1ccc(F)c(Nc2ncnc3cnc(N(C)C)nc23)c1F.CCCS(=O)(=O)Cc1ccc(F)c(Nc2ncnc3cnc(N4CCC(C(C)N(C)C)CC4)nc23)c1F.CCCS(=O)(=O)Cc1ccc(F)c(Nc2ncnc3cnc(N4CCC(CN(C)C)CC4)nc23)c1F.CCCS(=O)(=O)Cc1ccc(F)c(Nc2ncnc3cnc(N4CCC5(CCN(C)CC5)CC4)nc23)c1F.CCCS(=O)(=O)Cc1ccc(F)c(Nc2ncnc3cnc(NC4CCCC4)nc23)c1F.
What is the InChIKey of 6-N-cyclopentyl-4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]pyrimido[5,4-d]pyrimidine-4,6-diamine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N,6-N-dimethylpyrimido[5,4-d]pyrimidine-4,6-diamine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-pyrazol-1-ylpyrimido[5,4-d]pyrimidin-4-amine;methane?
The InChIKey is LVKDNWZJYSICRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F2N7O2S.C25H33F2N7O2S.C24H31F2N7O2S.C21H24F2N6O2S.C19H17F2N7O2S.C18H20F2N6O2S.5CH4/c1-3-14-38(36,37)16-18-4-5-19(27)22(21(18)28)32-24-23-20(30-17-31-24)15-29-25(33-23)35-12-8-26(9-13-35)6-10-34(2)11-7-26;1-5-12-37(35,36)14-18-6-7-19(26)22(21(18)27)31-24-23-20(29-15-30-24)13-28-25(32-23)34-10-8-17(9-11-34)16(2)33(3)4;1-4-11-36(34,35)14-17-5-6-18(25)21(20(17)26)30-23-22-19(28-15-29-23)12-27-24(31-22)33-9-7-16(8-10-33)13-32(2)3;1-2-9-32(30,31)11-13-7-8-15(22)18(17(13)23)28-20-19-16(25-12-26-20)10-24-21(29-19)27-14-5-3-4-6-14;1-2-8-31(29,30)10-12-4-5-13(20)16(15(12)21)26-18-17-14(23-11-24-18)9-22-19(27-17)28-7-3-6-25-28;1-4-7-29(27,28)9-11-5-6-12(19)15(14(11)20)24-17-16-13(22-10-23-17)8-21-18(25-16)26(2)3;;;;;/h4-5,15,17H,3,6-14,16H2,1-2H3,(H,30,31,32);6-7,13,15-17H,5,8-12,14H2,1-4H3,(H,29,30,31);5-6,12,15-16H,4,7-11,13-14H2,1-3H3,(H,28,29,30);7-8,10,12,14H,2-6,9,11H2,1H3,(H,24,27,29)(H,25,26,28);3-7,9,11H,2,8,10H2,1H3,(H,23,24,26);5-6,8,10H,4,7,9H2,1-3H3,(H,22,23,24);5*1H4.
What are the key properties of 6-N-cyclopentyl-4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]pyrimido[5,4-d]pyrimidine-4,6-diamine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N,6-N-dimethylpyrimido[5,4-d]pyrimidine-4,6-diamine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-pyrazol-1-ylpyrimido[5,4-d]pyrimidin-4-amine;methane?
6-N-cyclopentyl-4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]pyrimido[5,4-d]pyrimidine-4,6-diamine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N,6-N-dimethylpyrimido[5,4-d]pyrimidine-4,6-diamine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-pyrazol-1-ylpyrimido[5,4-d]pyrimidin-4-amine;methane has a molecular weight of 3009.59 g/mol, XLogP of 24.64, 47 rotatable bonds, 7 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopentyl-4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]pyrimido[5,4-d]pyrimidine-4,6-diamine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;4-N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-N,6-N-dimethylpyrimido[5,4-d]pyrimidine-4,6-diamine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimido[5,4-d]pyrimidin-4-amine;N-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-6-pyrazol-1-ylpyrimido[5,4-d]pyrimidin-4-amine;methane is sourced from PubChem (CID 159467744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).