Question 1

What is the IUPAC name of (5S)-1-amino-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]octan-4-one;(2S)-2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-8-chloro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2R)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-cyclopropylpropan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(6S)-6-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-hydroxy-2-methylnonan-5-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1-hydroxyoctan-4-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-N-methylpentanamide;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-methylpentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentanamide;2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]propane-1,3-diol;(4S)-4-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1-pyridin-2-ylheptan-3-one;4-N-butyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-(oxolan-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?

Accepted Answer

The IUPAC name of (5S)-1-amino-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]octan-4-one;(2S)-2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-8-chloro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2R)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-cyclopropylpropan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(6S)-6-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-hydroxy-2-methylnonan-5-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1-hydroxyoctan-4-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-N-methylpentanamide;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-methylpentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentanamide;2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]propane-1,3-diol;(4S)-4-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1-pyridin-2-ylheptan-3-one;4-N-butyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-(oxolan-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-diamine (CID 165062403) is (5S)-1-amino-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]octan-4-one;(2S)-2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-8-chloro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2R)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-cyclopropylpropan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(6S)-6-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-hydroxy-2-methylnonan-5-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1-hydroxyoctan-4-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-N-methylpentanamide;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-methylpentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentanamide;2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]propane-1,3-diol;(4S)-4-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1-pyridin-2-ylheptan-3-one;4-N-butyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-(oxolan-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-diamine.

Question 2

What is the SMILES notation for (5S)-1-amino-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]octan-4-one;(2S)-2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-8-chloro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2R)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-cyclopropylpropan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(6S)-6-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-hydroxy-2-methylnonan-5-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1-hydroxyoctan-4-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-N-methylpentanamide;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-methylpentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentanamide;2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]propane-1,3-diol;(4S)-4-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1-pyridin-2-ylheptan-3-one;4-N-butyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-(oxolan-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?

Accepted Answer

The canonical SMILES for (5S)-1-amino-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]octan-4-one;(2S)-2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-8-chloro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2R)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-cyclopropylpropan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(6S)-6-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-hydroxy-2-methylnonan-5-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1-hydroxyoctan-4-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-N-methylpentanamide;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-methylpentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentanamide;2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]propane-1,3-diol;(4S)-4-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1-pyridin-2-ylheptan-3-one;4-N-butyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-(oxolan-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-diamine is CC(C)C[C@@H](CO)Nc1nc(N)nc2cccnc12.CCCCNc1nc(N)nc2ccc(C(F)(F)F)nc12.CCCC[C@@H](CO)Nc1nc(N)nc2cccnc12.CCCC[C@H](CO)Nc1nc(N)nc2cc(Cl)cnc12.CCCC[C@H](CO)Nc1nc(N)nc2cccnc12.CCC[C@@H](CO)Nc1nc(N)nc2c(Cl)cc(C)nc12.CCC[C@@H](CO)Nc1nc(N)nc2cc(F)c(Cl)nc12.CCC[C@@H](CO)Nc1nc(N)nc2ccc(C)nc12.CCC[C@H](Nc1nc(N)nc2cccnc12)C(=O)CCC(C)(C)O.CCC[C@H](Nc1nc(N)nc2cccnc12)C(=O)CCCN.CCC[C@H](Nc1nc(N)nc2cccnc12)C(=O)CCCO.CCC[C@H](Nc1nc(N)nc2cccnc12)C(=O)CCc1ccccn1.CCC[C@H](Nc1nc(N)nc2cccnc12)C(=O)NC.CCC[C@H](Nc1nc(N)nc2cccnc12)C(N)=O.Nc1nc(NC(CO)CO)c2ncccc2n1.Nc1nc(NCC2CCCO2)c2ncccc2n1.Nc1nc(N[C@H](CO)CC2CC2)c2ncccc2n1.

Question 3

What is the InChIKey of (5S)-1-amino-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]octan-4-one;(2S)-2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-8-chloro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2R)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-cyclopropylpropan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(6S)-6-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-hydroxy-2-methylnonan-5-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1-hydroxyoctan-4-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-N-methylpentanamide;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-methylpentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentanamide;2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]propane-1,3-diol;(4S)-4-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1-pyridin-2-ylheptan-3-one;4-N-butyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-(oxolan-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?

Accepted Answer

The InChIKey is RKKBYLKODJTFOE-HJUCNCMNSA-N. The full InChI is InChI=1S/C19H22N6O.C17H25N5O2.C15H22N6O.C15H21N5O2.2C13H18ClN5O.C13H18N6O.C13H17N5O.4C13H19N5O.C12H15ClFN5O.C12H14F3N5.C12H16N6O.C12H15N5O.C10H13N5O2/c1-2-6-14(16(26)10-9-13-7-3-4-11-21-13)23-18-17-15(8-5-12-22-17)24-19(20)25-18;1-4-6-11(13(23)8-9-17(2,3)24)20-15-14-12(7-5-10-19-14)21-16(18)22-15;1-2-5-10(12(22)7-3-8-16)19-14-13-11(6-4-9-18-13)20-15(17)21-14;1-2-5-10(12(22)7-4-9-21)18-14-13-11(6-3-8-17-13)19-15(16)20-14;1-3-4-8(6-20)17-12-11-10(18-13(15)19-12)9(14)5-7(2)16-11;1-2-3-4-9(7-20)17-12-11-10(18-13(15)19-12)5-8(14)6-16-11;1-3-5-9(12(20)15-2)17-11-10-8(6-4-7-16-10)18-13(14)19-11;14-13-17-10-2-1-5-15-11(10)12(18-13)16-9(7-19)6-8-3-4-8;1-8(2)6-9(7-19)16-12-11-10(4-3-5-15-11)17-13(14)18-12;1-3-4-9(7-19)16-12-11-10(17-13(14)18-12)6-5-8(2)15-11;2*1-2-3-5-9(8-19)16-12-11-10(6-4-7-15-11)17-13(14)18-12;1-2-3-6(5-20)16-11-9-8(17-12(15)19-11)4-7(14)10(13)18-9;1-2-3-6-17-10-9-7(18-11(16)20-10)4-5-8(19-9)12(13,14)15;1-2-4-8(10(13)19)16-11-9-7(5-3-6-15-9)17-12(14)18-11;13-12-16-9-4-1-5-14-10(9)11(17-12)15-7-8-3-2-6-18-8;11-10-14-7-2-1-3-12-8(7)9(15-10)13-6(4-16)5-17/h3-5,7-8,11-12,14H,2,6,9-10H2,1H3,(H3,20,23,24,25);5,7,10-11,24H,4,6,8-9H2,1-3H3,(H3,18,20,21,22);4,6,9-10H,2-3,5,7-8,16H2,1H3,(H3,17,19,20,21);3,6,8,10,21H,2,4-5,7,9H2,1H3,(H3,16,18,19,20);5,8,20H,3-4,6H2,1-2H3,(H3,15,17,18,19);5-6,9,20H,2-4,7H2,1H3,(H3,15,17,18,19);4,6-7,9H,3,5H2,1-2H3,(H,15,20)(H3,14,17,18,19);1-2,5,8-9,19H,3-4,6-7H2,(H3,14,16,17,18);3-5,8-9,19H,6-7H2,1-2H3,(H3,14,16,17,18);5-6,9,19H,3-4,7H2,1-2H3,(H3,14,16,17,18);2*4,6-7,9,19H,2-3,5,8H2,1H3,(H3,14,16,17,18);4,6,20H,2-3,5H2,1H3,(H3,15,16,17,19);4-5H,2-3,6H2,1H3,(H3,16,17,18,20);3,5-6,8H,2,4H2,1H3,(H2,13,19)(H3,14,16,17,18);1,4-5,8H,2-3,6-7H2,(H3,13,15,16,17);1-3,6,16-17H,4-5H2,(H3,11,13,14,15)/t14-;11-;2*10-;8-;7*9-;6-;;8-;;/m0000010000100.0../s1.

Question 4

What are the key properties of (5S)-1-amino-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]octan-4-one;(2S)-2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-8-chloro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2R)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-cyclopropylpropan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(6S)-6-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-hydroxy-2-methylnonan-5-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1-hydroxyoctan-4-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-N-methylpentanamide;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-methylpentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentanamide;2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]propane-1,3-diol;(4S)-4-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1-pyridin-2-ylheptan-3-one;4-N-butyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-(oxolan-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?

Accepted Answer

(5S)-1-amino-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]octan-4-one;(2S)-2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-8-chloro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2R)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-cyclopropylpropan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(6S)-6-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-hydroxy-2-methylnonan-5-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1-hydroxyoctan-4-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-N-methylpentanamide;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-methylpentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentanamide;2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]propane-1,3-diol;(4S)-4-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1-pyridin-2-ylheptan-3-one;4-N-butyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-(oxolan-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 4783.94 g/mol, XLogP of 26.70, 96 rotatable bonds, 49 hydrogen bond donors, and 106 hydrogen bond acceptors.

Question 5

Where does this data come from?

Accepted Answer

All data for (5S)-1-amino-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]octan-4-one;(2S)-2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-8-chloro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2R)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-cyclopropylpropan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(6S)-6-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-hydroxy-2-methylnonan-5-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1-hydroxyoctan-4-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-N-methylpentanamide;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-methylpentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentanamide;2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]propane-1,3-diol;(4S)-4-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1-pyridin-2-ylheptan-3-one;4-N-butyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-(oxolan-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 165062403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Compound Name	(5S)-1-amino-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]octan-4-one;(2S)-2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-8-chloro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2R)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-cyclopropylpropan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(6S)-6-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-hydroxy-2-methylnonan-5-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1-hydroxyoctan-4-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-N-methylpentanamide;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-methylpentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentanamide;2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]propane-1,3-diol;(4S)-4-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1-pyridin-2-ylheptan-3-one;4-N-butyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-(oxolan-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
PubChem CID	165062403
Molecular Formula	C228H310Cl3F4N89O19
Molecular Weight	4783.94 g/mol
Exact Mass	4779.50
IUPAC Name	(5S)-1-amino-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]octan-4-one;(2S)-2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-8-chloro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2R)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-cyclopropylpropan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(6S)-6-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-hydroxy-2-methylnonan-5-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1-hydroxyoctan-4-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-N-methylpentanamide;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-methylpentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentanamide;2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]propane-1,3-diol;(4S)-4-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1-pyridin-2-ylheptan-3-one;4-N-butyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-(oxolan-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
SMILES	CC(C)C[C@@H](CO)Nc1nc(N)nc2cccnc12.CCCCNc1nc(N)nc2ccc(C(F)(F)F)nc12.CCCC[C@@H](CO)Nc1nc(N)nc2cccnc12.CCCC[C@H](CO)Nc1nc(N)nc2cc(Cl)cnc12.CCCC[C@H](CO)Nc1nc(N)nc2cccnc12.CCC[C@@H](CO)Nc1nc(N)nc2c(Cl)cc(C)nc12.CCC[C@@H](CO)Nc1nc(N)nc2cc(F)c(Cl)nc12.CCC[C@@H](CO)Nc1nc(N)nc2ccc(C)nc12.CCC[C@H](Nc1nc(N)nc2cccnc12)C(=O)CCC(C)(C)O.CCC[C@H](Nc1nc(N)nc2cccnc12)C(=O)CCCN.CCC[C@H](Nc1nc(N)nc2cccnc12)C(=O)CCCO.CCC[C@H](Nc1nc(N)nc2cccnc12)C(=O)CCc1ccccn1.CCC[C@H](Nc1nc(N)nc2cccnc12)C(=O)NC.CCC[C@H](Nc1nc(N)nc2cccnc12)C(N)=O.Nc1nc(NC(CO)CO)c2ncccc2n1.Nc1nc(NCC2CCCO2)c2ncccc2n1.Nc1nc(N[C@H](CO)CC2CC2)c2ncccc2n1
InChI	InChI=1S/C19H22N6O.C17H25N5O2.C15H22N6O.C15H21N5O2.2C13H18ClN5O.C13H18N6O.C13H17N5O.4C13H19N5O.C12H15ClFN5O.C12H14F3N5.C12H16N6O.C12H15N5O.C10H13N5O2/c1-2-6-14(16(26)10-9-13-7-3-4-11-21-13)23-18-17-15(8-5-12-22-17)24-19(20)25-18;1-4-6-11(13(23)8-9-17(2,3)24)20-15-14-12(7-5-10-19-14)21-16(18)22-15;1-2-5-10(12(22)7-3-8-16)19-14-13-11(6-4-9-18-13)20-15(17)21-14;1-2-5-10(12(22)7-4-9-21)18-14-13-11(6-3-8-17-13)19-15(16)20-14;1-3-4-8(6-20)17-12-11-10(18-13(15)19-12)9(14)5-7(2)16-11;1-2-3-4-9(7-20)17-12-11-10(18-13(15)19-12)5-8(14)6-16-11;1-3-5-9(12(20)15-2)17-11-10-8(6-4-7-16-10)18-13(14)19-11;14-13-17-10-2-1-5-15-11(10)12(18-13)16-9(7-19)6-8-3-4-8;1-8(2)6-9(7-19)16-12-11-10(4-3-5-15-11)17-13(14)18-12;1-3-4-9(7-19)16-12-11-10(17-13(14)18-12)6-5-8(2)15-11;21-2-3-5-9(8-19)16-12-11-10(6-4-7-15-11)17-13(14)18-12;1-2-3-6(5-20)16-11-9-8(17-12(15)19-11)4-7(14)10(13)18-9;1-2-3-6-17-10-9-7(18-11(16)20-10)4-5-8(19-9)12(13,14)15;1-2-4-8(10(13)19)16-11-9-7(5-3-6-15-9)17-12(14)18-11;13-12-16-9-4-1-5-14-10(9)11(17-12)15-7-8-3-2-6-18-8;11-10-14-7-2-1-3-12-8(7)9(15-10)13-6(4-16)5-17/h3-5,7-8,11-12,14H,2,6,9-10H2,1H3,(H3,20,23,24,25);5,7,10-11,24H,4,6,8-9H2,1-3H3,(H3,18,20,21,22);4,6,9-10H,2-3,5,7-8,16H2,1H3,(H3,17,19,20,21);3,6,8,10,21H,2,4-5,7,9H2,1H3,(H3,16,18,19,20);5,8,20H,3-4,6H2,1-2H3,(H3,15,17,18,19);5-6,9,20H,2-4,7H2,1H3,(H3,15,17,18,19);4,6-7,9H,3,5H2,1-2H3,(H,15,20)(H3,14,17,18,19);1-2,5,8-9,19H,3-4,6-7H2,(H3,14,16,17,18);3-5,8-9,19H,6-7H2,1-2H3,(H3,14,16,17,18);5-6,9,19H,3-4,7H2,1-2H3,(H3,14,16,17,18);24,6-7,9,19H,2-3,5,8H2,1H3,(H3,14,16,17,18);4,6,20H,2-3,5H2,1H3,(H3,15,16,17,19);4-5H,2-3,6H2,1H3,(H3,16,17,18,20);3,5-6,8H,2,4H2,1H3,(H2,13,19)(H3,14,16,17,18);1,4-5,8H,2-3,6-7H2,(H3,13,15,16,17);1-3,6,16-17H,4-5H2,(H3,11,13,14,15)/t14-;11-;210-;8-;79-;6-;;8-;;/m0000010000100.0../s1
InChIKey	RKKBYLKODJTFOE-HJUCNCMNSA-N
XLogP	26.70
TPSA	1735.61 Å²
H-Bond Donors	49
H-Bond Acceptors	106
Rotatable Bonds	96
Heavy Atoms	343
Complexity	—

Rule	Value
MW ≤ 500	4783.94
LogP ≤ 5	26.70
H-Bond Donors ≤ 5	49
H-Bond Acceptors ≤ 10	106

Molecular Properties

Lipinski Rule of Five

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