6-[2-(3,4-dimethoxyphenyl)ethylamino]-1-methyl-3-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-2,4-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(3-methylphenyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(2-methylpropyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-6-(2-methylpropyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;6-[2-(3-fluorophenyl)ethylamino]-1-methyl-3-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-2,4-dione;2-[2-(3-fluorophenyl)ethylamino]-7-(3-methylphenyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(4-fluorophenyl)ethylamino]-6-(3-methylphenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;2-[2-(3-fluorophenyl)ethylamino]-7-(2-methylpropyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-(2-methoxyethylamino)-6-(3-methylphenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;6-(3-methylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]ethylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione

C211H213F7N46O29 — CID 167592288

IUPAC6-[2-(3,4-dimethoxyphenyl)ethylamino]-1-methyl-3-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-2,4-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(3-methylphenyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(2-methylpropyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-6-(2-methylpropyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;6-[2-(3-fluorophenyl)ethylamino]-1-methyl-3-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-2,4-dione;2-[2-(3-fluorophenyl)ethylamino]-7-(3-methylphenyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(4-fluorophenyl)ethylamino]-6-(3-methylphenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;2-[2-(3-fluorophenyl)ethylamino]-7-(2-methylpropyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-(2-methoxyethylamino)-6-(3-methylphenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;6-(3-methylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]ethylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
SMILESCC(C)CN1C(=O)Cc2cnc(NCCc3cccc(F)c3)nc2C1=O.COCCNc1ncc2c(=O)n(-c3cccc(C)c3)c(=O)[nH]c2n1.COc1ccc(CCNc2ncc3c(=O)n(CC(C)C)c(=O)[nH]c3n2)cc1OC.COc1ccc(CCNc2ncc3c(n2)C(=O)N(CC(C)C)C(=O)C3)cc1OC.COc1ccc(CCNc2ncc3c(n2)C(=O)N(c2cccc(C)c2)C(=O)C3)cc1OC.COc1ccc(CCNc2ncc3c(n2)c(=O)n(-c2cccc(C)c2)c(=O)n3C)cc1OC.Cc1cccc(-n2c(=O)[nH]c3nc(NCCc4ccc(F)cc4)ncc3c2=O)c1.Cc1cccc(-n2c(=O)[nH]c3nc(NCCc4cccc(C(F)(F)F)c4)ncc3c2=O)c1.Cc1cccc(-n2c(=O)c3nc(NCCc4cccc(F)c4)ncc3n(C)c2=O)c1.Cc1cccc(N2C(=O)Cc3cnc(NCCc4cccc(F)c4)nc3C2=O)c1
InChIInChI=1S/C24H25N5O4.C24H24N4O4.C22H18F3N5O2.C22H20FN5O2.C22H19FN4O2.C21H18FN5O2.C21H26N4O4.C20H25N5O4.C19H21FN4O2.C16H17N5O3/c1-15-6-5-7-17(12-15)29-22(30)21-18(28(2)24(29)31)14-26-23(27-21)25-11-10-16-8-9-19(32-3)20(13-16)33-4;1-15-5-4-6-18(11-15)28-21(29)13-17-14-26-24(27-22(17)23(28)30)25-10-9-16-7-8-19(31-2)20(12-16)32-3;1-13-4-2-7-16(10-13)30-19(31)17-12-27-20(28-18(17)29-21(30)32)26-9-8-14-5-3-6-15(11-14)22(23,24)25;1-14-5-3-8-17(11-14)28-20(29)19-18(27(2)22(28)30)13-25-21(26-19)24-10-9-15-6-4-7-16(23)12-15;1-14-4-2-7-18(10-14)27-19(28)12-16-13-25-22(26-20(16)21(27)29)24-9-8-15-5-3-6-17(23)11-15;1-13-3-2-4-16(11-13)27-19(28)17-12-24-20(25-18(17)26-21(27)29)23-10-9-14-5-7-15(22)8-6-14;1-13(2)12-25-18(26)10-15-11-23-21(24-19(15)20(25)27)22-8-7-14-5-6-16(28-3)17(9-14)29-4;1-12(2)11-25-18(26)14-10-22-19(23-17(14)24-20(25)27)21-8-7-13-5-6-15(28-3)16(9-13)29-4;1-12(2)11-24-16(25)9-14-10-22-19(23-17(14)18(24)26)21-7-6-13-4-3-5-15(20)8-13;1-10-4-3-5-11(8-10)21-14(22)12-9-18-15(17-6-7-24-2)19-13(12)20-16(21)23/h5-9,12-14H,10-11H2,1-4H3,(H,25,26,27);4-8,11-12,14H,9-10,13H2,1-3H3,(H,25,26,27);2-7,10-12H,8-9H2,1H3,(H2,26,27,28,29,32);3-8,11-13H,9-10H2,1-2H3,(H,24,25,26);2-7,10-11,13H,8-9,12H2,1H3,(H,24,25,26);2-8,11-12H,9-10H2,1H3,(H2,23,24,25,26,29);5-6,9,11,13H,7-8,10,12H2,1-4H3,(H,22,23,24);5-6,9-10,12H,7-8,11H2,1-4H3,(H2,21,22,23,24,27);3-5,8,10,12H,6-7,9,11H2,1-2H3,(H,21,22,23);3-5,8-9H,6-7H2,1-2H3,(H2,17,18,19,20,23)
InChIKeyIOXKVPXYBNBMKM-UHFFFAOYSA-N
MW3990.30 g/mol
LogP24.98
Rot. Bonds61

About 6-[2-(3,4-dimethoxyphenyl)ethylamino]-1-methyl-3-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-2,4-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(3-methylphenyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(2-methylpropyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-6-(2-methylpropyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;6-[2-(3-fluorophenyl)ethylamino]-1-methyl-3-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-2,4-dione;2-[2-(3-fluorophenyl)ethylamino]-7-(3-methylphenyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(4-fluorophenyl)ethylamino]-6-(3-methylphenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;2-[2-(3-fluorophenyl)ethylamino]-7-(2-methylpropyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-(2-methoxyethylamino)-6-(3-methylphenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;6-(3-methylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]ethylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione

6-[2-(3,4-dimethoxyphenyl)ethylamino]-1-methyl-3-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-2,4-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(3-methylphenyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(2-methylpropyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-6-(2-methylpropyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;6-[2-(3-fluorophenyl)ethylamino]-1-methyl-3-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-2,4-dione;2-[2-(3-fluorophenyl)ethylamino]-7-(3-methylphenyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(4-fluorophenyl)ethylamino]-6-(3-methylphenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;2-[2-(3-fluorophenyl)ethylamino]-7-(2-methylpropyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-(2-methoxyethylamino)-6-(3-methylphenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;6-(3-methylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]ethylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione (PubChem CID 167592288) has the molecular formula C211H213F7N46O29 and a molecular weight of 3990.30 g/mol. Its IUPAC name is 6-[2-(3,4-dimethoxyphenyl)ethylamino]-1-methyl-3-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-2,4-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(3-methylphenyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(2-methylpropyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-6-(2-methylpropyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;6-[2-(3-fluorophenyl)ethylamino]-1-methyl-3-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-2,4-dione;2-[2-(3-fluorophenyl)ethylamino]-7-(3-methylphenyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(4-fluorophenyl)ethylamino]-6-(3-methylphenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;2-[2-(3-fluorophenyl)ethylamino]-7-(2-methylpropyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-(2-methoxyethylamino)-6-(3-methylphenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;6-(3-methylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]ethylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione.

Molecular Properties

Compound Name6-[2-(3,4-dimethoxyphenyl)ethylamino]-1-methyl-3-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-2,4-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(3-methylphenyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(2-methylpropyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-6-(2-methylpropyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;6-[2-(3-fluorophenyl)ethylamino]-1-methyl-3-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-2,4-dione;2-[2-(3-fluorophenyl)ethylamino]-7-(3-methylphenyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(4-fluorophenyl)ethylamino]-6-(3-methylphenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;2-[2-(3-fluorophenyl)ethylamino]-7-(2-methylpropyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-(2-methoxyethylamino)-6-(3-methylphenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;6-(3-methylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]ethylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
PubChem CID167592288
Molecular FormulaC211H213F7N46O29
Molecular Weight3990.30 g/mol
Exact Mass3987.65
IUPAC Name6-[2-(3,4-dimethoxyphenyl)ethylamino]-1-methyl-3-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-2,4-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(3-methylphenyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(2-methylpropyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-6-(2-methylpropyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;6-[2-(3-fluorophenyl)ethylamino]-1-methyl-3-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-2,4-dione;2-[2-(3-fluorophenyl)ethylamino]-7-(3-methylphenyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(4-fluorophenyl)ethylamino]-6-(3-methylphenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;2-[2-(3-fluorophenyl)ethylamino]-7-(2-methylpropyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-(2-methoxyethylamino)-6-(3-methylphenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;6-(3-methylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]ethylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
SMILESCC(C)CN1C(=O)Cc2cnc(NCCc3cccc(F)c3)nc2C1=O.COCCNc1ncc2c(=O)n(-c3cccc(C)c3)c(=O)[nH]c2n1.COc1ccc(CCNc2ncc3c(=O)n(CC(C)C)c(=O)[nH]c3n2)cc1OC.COc1ccc(CCNc2ncc3c(n2)C(=O)N(CC(C)C)C(=O)C3)cc1OC.COc1ccc(CCNc2ncc3c(n2)C(=O)N(c2cccc(C)c2)C(=O)C3)cc1OC.COc1ccc(CCNc2ncc3c(n2)c(=O)n(-c2cccc(C)c2)c(=O)n3C)cc1OC.Cc1cccc(-n2c(=O)[nH]c3nc(NCCc4ccc(F)cc4)ncc3c2=O)c1.Cc1cccc(-n2c(=O)[nH]c3nc(NCCc4cccc(C(F)(F)F)c4)ncc3c2=O)c1.Cc1cccc(-n2c(=O)c3nc(NCCc4cccc(F)c4)ncc3n(C)c2=O)c1.Cc1cccc(N2C(=O)Cc3cnc(NCCc4cccc(F)c4)nc3C2=O)c1
InChIInChI=1S/C24H25N5O4.C24H24N4O4.C22H18F3N5O2.C22H20FN5O2.C22H19FN4O2.C21H18FN5O2.C21H26N4O4.C20H25N5O4.C19H21FN4O2.C16H17N5O3/c1-15-6-5-7-17(12-15)29-22(30)21-18(28(2)24(29)31)14-26-23(27-21)25-11-10-16-8-9-19(32-3)20(13-16)33-4;1-15-5-4-6-18(11-15)28-21(29)13-17-14-26-24(27-22(17)23(28)30)25-10-9-16-7-8-19(31-2)20(12-16)32-3;1-13-4-2-7-16(10-13)30-19(31)17-12-27-20(28-18(17)29-21(30)32)26-9-8-14-5-3-6-15(11-14)22(23,24)25;1-14-5-3-8-17(11-14)28-20(29)19-18(27(2)22(28)30)13-25-21(26-19)24-10-9-15-6-4-7-16(23)12-15;1-14-4-2-7-18(10-14)27-19(28)12-16-13-25-22(26-20(16)21(27)29)24-9-8-15-5-3-6-17(23)11-15;1-13-3-2-4-16(11-13)27-19(28)17-12-24-20(25-18(17)26-21(27)29)23-10-9-14-5-7-15(22)8-6-14;1-13(2)12-25-18(26)10-15-11-23-21(24-19(15)20(25)27)22-8-7-14-5-6-16(28-3)17(9-14)29-4;1-12(2)11-25-18(26)14-10-22-19(23-17(14)24-20(25)27)21-8-7-13-5-6-15(28-3)16(9-13)29-4;1-12(2)11-24-16(25)9-14-10-22-19(23-17(14)18(24)26)21-7-6-13-4-3-5-15(20)8-13;1-10-4-3-5-11(8-10)21-14(22)12-9-18-15(17-6-7-24-2)19-13(12)20-16(21)23/h5-9,12-14H,10-11H2,1-4H3,(H,25,26,27);4-8,11-12,14H,9-10,13H2,1-3H3,(H,25,26,27);2-7,10-12H,8-9H2,1H3,(H2,26,27,28,29,32);3-8,11-13H,9-10H2,1-2H3,(H,24,25,26);2-7,10-11,13H,8-9,12H2,1H3,(H,24,25,26);2-8,11-12H,9-10H2,1H3,(H2,23,24,25,26,29);5-6,9,11,13H,7-8,10,12H2,1-4H3,(H,22,23,24);5-6,9-10,12H,7-8,11H2,1-4H3,(H2,21,22,23,24,27);3-5,8,10,12H,6-7,9,11H2,1-2H3,(H,21,22,23);3-5,8-9H,6-7H2,1-2H3,(H2,17,18,19,20,23)
InChIKeyIOXKVPXYBNBMKM-UHFFFAOYSA-N
XLogP24.98
TPSA918.13 Ų
H-Bond Donors14
H-Bond Acceptors67
Rotatable Bonds61
Heavy Atoms293
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003990.30
LogP ≤ 524.98
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1067

Analyze 6-[2-(3,4-dimethoxyphenyl)ethylamino]-1-methyl-3-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-2,4-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(3-methylphenyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(2-methylpropyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-6-(2-methylpropyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;6-[2-(3-fluorophenyl)ethylamino]-1-methyl-3-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-2,4-dione;2-[2-(3-fluorophenyl)ethylamino]-7-(3-methylphenyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(4-fluorophenyl)ethylamino]-6-(3-methylphenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;2-[2-(3-fluorophenyl)ethylamino]-7-(2-methylpropyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-(2-methoxyethylamino)-6-(3-methylphenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;6-(3-methylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]ethylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,4-dimethoxyphenyl)ethylamino]-1-methyl-3-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-2,4-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(3-methylphenyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(2-methylpropyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-6-(2-methylpropyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;6-[2-(3-fluorophenyl)ethylamino]-1-methyl-3-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-2,4-dione;2-[2-(3-fluorophenyl)ethylamino]-7-(3-methylphenyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(4-fluorophenyl)ethylamino]-6-(3-methylphenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;2-[2-(3-fluorophenyl)ethylamino]-7-(2-methylpropyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-(2-methoxyethylamino)-6-(3-methylphenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;6-(3-methylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]ethylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione?
The IUPAC name of 6-[2-(3,4-dimethoxyphenyl)ethylamino]-1-methyl-3-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-2,4-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(3-methylphenyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(2-methylpropyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-6-(2-methylpropyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;6-[2-(3-fluorophenyl)ethylamino]-1-methyl-3-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-2,4-dione;2-[2-(3-fluorophenyl)ethylamino]-7-(3-methylphenyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(4-fluorophenyl)ethylamino]-6-(3-methylphenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;2-[2-(3-fluorophenyl)ethylamino]-7-(2-methylpropyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-(2-methoxyethylamino)-6-(3-methylphenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;6-(3-methylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]ethylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione (CID 167592288) is 6-[2-(3,4-dimethoxyphenyl)ethylamino]-1-methyl-3-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-2,4-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(3-methylphenyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(2-methylpropyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-6-(2-methylpropyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;6-[2-(3-fluorophenyl)ethylamino]-1-methyl-3-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-2,4-dione;2-[2-(3-fluorophenyl)ethylamino]-7-(3-methylphenyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(4-fluorophenyl)ethylamino]-6-(3-methylphenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;2-[2-(3-fluorophenyl)ethylamino]-7-(2-methylpropyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-(2-methoxyethylamino)-6-(3-methylphenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;6-(3-methylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]ethylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione.
What is the SMILES notation for 6-[2-(3,4-dimethoxyphenyl)ethylamino]-1-methyl-3-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-2,4-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(3-methylphenyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(2-methylpropyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-6-(2-methylpropyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;6-[2-(3-fluorophenyl)ethylamino]-1-methyl-3-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-2,4-dione;2-[2-(3-fluorophenyl)ethylamino]-7-(3-methylphenyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(4-fluorophenyl)ethylamino]-6-(3-methylphenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;2-[2-(3-fluorophenyl)ethylamino]-7-(2-methylpropyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-(2-methoxyethylamino)-6-(3-methylphenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;6-(3-methylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]ethylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione?
The canonical SMILES for 6-[2-(3,4-dimethoxyphenyl)ethylamino]-1-methyl-3-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-2,4-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(3-methylphenyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(2-methylpropyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-6-(2-methylpropyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;6-[2-(3-fluorophenyl)ethylamino]-1-methyl-3-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-2,4-dione;2-[2-(3-fluorophenyl)ethylamino]-7-(3-methylphenyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(4-fluorophenyl)ethylamino]-6-(3-methylphenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;2-[2-(3-fluorophenyl)ethylamino]-7-(2-methylpropyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-(2-methoxyethylamino)-6-(3-methylphenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;6-(3-methylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]ethylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione is CC(C)CN1C(=O)Cc2cnc(NCCc3cccc(F)c3)nc2C1=O.COCCNc1ncc2c(=O)n(-c3cccc(C)c3)c(=O)[nH]c2n1.COc1ccc(CCNc2ncc3c(=O)n(CC(C)C)c(=O)[nH]c3n2)cc1OC.COc1ccc(CCNc2ncc3c(n2)C(=O)N(CC(C)C)C(=O)C3)cc1OC.COc1ccc(CCNc2ncc3c(n2)C(=O)N(c2cccc(C)c2)C(=O)C3)cc1OC.COc1ccc(CCNc2ncc3c(n2)c(=O)n(-c2cccc(C)c2)c(=O)n3C)cc1OC.Cc1cccc(-n2c(=O)[nH]c3nc(NCCc4ccc(F)cc4)ncc3c2=O)c1.Cc1cccc(-n2c(=O)[nH]c3nc(NCCc4cccc(C(F)(F)F)c4)ncc3c2=O)c1.Cc1cccc(-n2c(=O)c3nc(NCCc4cccc(F)c4)ncc3n(C)c2=O)c1.Cc1cccc(N2C(=O)Cc3cnc(NCCc4cccc(F)c4)nc3C2=O)c1.
What is the InChIKey of 6-[2-(3,4-dimethoxyphenyl)ethylamino]-1-methyl-3-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-2,4-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(3-methylphenyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(2-methylpropyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-6-(2-methylpropyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;6-[2-(3-fluorophenyl)ethylamino]-1-methyl-3-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-2,4-dione;2-[2-(3-fluorophenyl)ethylamino]-7-(3-methylphenyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(4-fluorophenyl)ethylamino]-6-(3-methylphenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;2-[2-(3-fluorophenyl)ethylamino]-7-(2-methylpropyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-(2-methoxyethylamino)-6-(3-methylphenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;6-(3-methylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]ethylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione?
The InChIKey is IOXKVPXYBNBMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4.C24H24N4O4.C22H18F3N5O2.C22H20FN5O2.C22H19FN4O2.C21H18FN5O2.C21H26N4O4.C20H25N5O4.C19H21FN4O2.C16H17N5O3/c1-15-6-5-7-17(12-15)29-22(30)21-18(28(2)24(29)31)14-26-23(27-21)25-11-10-16-8-9-19(32-3)20(13-16)33-4;1-15-5-4-6-18(11-15)28-21(29)13-17-14-26-24(27-22(17)23(28)30)25-10-9-16-7-8-19(31-2)20(12-16)32-3;1-13-4-2-7-16(10-13)30-19(31)17-12-27-20(28-18(17)29-21(30)32)26-9-8-14-5-3-6-15(11-14)22(23,24)25;1-14-5-3-8-17(11-14)28-20(29)19-18(27(2)22(28)30)13-25-21(26-19)24-10-9-15-6-4-7-16(23)12-15;1-14-4-2-7-18(10-14)27-19(28)12-16-13-25-22(26-20(16)21(27)29)24-9-8-15-5-3-6-17(23)11-15;1-13-3-2-4-16(11-13)27-19(28)17-12-24-20(25-18(17)26-21(27)29)23-10-9-14-5-7-15(22)8-6-14;1-13(2)12-25-18(26)10-15-11-23-21(24-19(15)20(25)27)22-8-7-14-5-6-16(28-3)17(9-14)29-4;1-12(2)11-25-18(26)14-10-22-19(23-17(14)24-20(25)27)21-8-7-13-5-6-15(28-3)16(9-13)29-4;1-12(2)11-24-16(25)9-14-10-22-19(23-17(14)18(24)26)21-7-6-13-4-3-5-15(20)8-13;1-10-4-3-5-11(8-10)21-14(22)12-9-18-15(17-6-7-24-2)19-13(12)20-16(21)23/h5-9,12-14H,10-11H2,1-4H3,(H,25,26,27);4-8,11-12,14H,9-10,13H2,1-3H3,(H,25,26,27);2-7,10-12H,8-9H2,1H3,(H2,26,27,28,29,32);3-8,11-13H,9-10H2,1-2H3,(H,24,25,26);2-7,10-11,13H,8-9,12H2,1H3,(H,24,25,26);2-8,11-12H,9-10H2,1H3,(H2,23,24,25,26,29);5-6,9,11,13H,7-8,10,12H2,1-4H3,(H,22,23,24);5-6,9-10,12H,7-8,11H2,1-4H3,(H2,21,22,23,24,27);3-5,8,10,12H,6-7,9,11H2,1-2H3,(H,21,22,23);3-5,8-9H,6-7H2,1-2H3,(H2,17,18,19,20,23).
What are the key properties of 6-[2-(3,4-dimethoxyphenyl)ethylamino]-1-methyl-3-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-2,4-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(3-methylphenyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(2-methylpropyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-6-(2-methylpropyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;6-[2-(3-fluorophenyl)ethylamino]-1-methyl-3-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-2,4-dione;2-[2-(3-fluorophenyl)ethylamino]-7-(3-methylphenyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(4-fluorophenyl)ethylamino]-6-(3-methylphenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;2-[2-(3-fluorophenyl)ethylamino]-7-(2-methylpropyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-(2-methoxyethylamino)-6-(3-methylphenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;6-(3-methylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]ethylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione?
6-[2-(3,4-dimethoxyphenyl)ethylamino]-1-methyl-3-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-2,4-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(3-methylphenyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(2-methylpropyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-6-(2-methylpropyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;6-[2-(3-fluorophenyl)ethylamino]-1-methyl-3-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-2,4-dione;2-[2-(3-fluorophenyl)ethylamino]-7-(3-methylphenyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(4-fluorophenyl)ethylamino]-6-(3-methylphenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;2-[2-(3-fluorophenyl)ethylamino]-7-(2-methylpropyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-(2-methoxyethylamino)-6-(3-methylphenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;6-(3-methylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]ethylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione has a molecular weight of 3990.30 g/mol, XLogP of 24.98, 61 rotatable bonds, 14 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,4-dimethoxyphenyl)ethylamino]-1-methyl-3-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-2,4-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(3-methylphenyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(2-methylpropyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(3,4-dimethoxyphenyl)ethylamino]-6-(2-methylpropyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;6-[2-(3-fluorophenyl)ethylamino]-1-methyl-3-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-2,4-dione;2-[2-(3-fluorophenyl)ethylamino]-7-(3-methylphenyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-[2-(4-fluorophenyl)ethylamino]-6-(3-methylphenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;2-[2-(3-fluorophenyl)ethylamino]-7-(2-methylpropyl)-5H-pyrido[3,4-d]pyrimidine-6,8-dione;2-(2-methoxyethylamino)-6-(3-methylphenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;6-(3-methylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]ethylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione is sourced from PubChem (CID 167592288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).