(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-amino-4-[[(2R)-1-hydroxyhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-ol;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol

C89H127ClF4N30O7 — CID 159028544

About (5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-amino-4-[[(2R)-1-hydroxyhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-ol;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol

(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-amino-4-[[(2R)-1-hydroxyhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-ol;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol (PubChem CID 159028544) has the molecular formula C89H127ClF4N30O7 and a molecular weight of 1840.64 g/mol. Its IUPAC name is (5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-amino-4-[[(2R)-1-hydroxyhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-ol;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol.

Molecular Properties

• Compound Name: (5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-amino-4-[[(2R)-1-hydroxyhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-ol;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol
• PubChem CID: 159028544
• Molecular Formula: C89H127ClF4N30O7
• Molecular Weight: 1840.64 g/mol
• Exact Mass: 1839.01
• IUPAC Name: (5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-amino-4-[[(2R)-1-hydroxyhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-ol;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol
• SMILES: CCCC[C@@](C)(CCC(C)=O)Nc1nc(N)nc2cc(Cl)cnc12.CCCC[C@H](CO)Nc1nc(N)nc2cc(CC)cnc12.CCCC[C@H](CO)Nc1nc(N)nc2cc(O)cnc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cc(C)cnc12.CCC[C@@H](CO)Nc1nc(N)nc2cc(C(F)(F)F)cnc12.CCC[C@@H](CO)Nc1nc(N)nc2cc(F)c(C)nc12
• InChI: InChI=1S/C18H27N5O.C17H24ClN5O.C15H23N5O.C13H16F3N5O.C13H18FN5O.C13H19N5O2/c1-5-6-8-18(4,9-7-13(3)24)23-16-15-14(21-17(19)22-16)10-12(2)11-20-15;1-4-5-7-17(3,8-6-11(2)24)23-15-14-13(21-16(19)22-15)9-12(18)10-20-14;1-3-5-6-11(9-21)18-14-13-12(19-15(16)20-14)7-10(4-2)8-17-13;1-2-3-8(6-22)19-11-10-9(20-12(17)21-11)4-7(5-18-10)13(14,15)16;1-3-4-8(6-20)17-12-11-10(18-13(15)19-12)5-9(14)7(2)16-11;1-2-3-4-8(7-19)16-12-11-10(17-13(14)18-12)5-9(20)6-15-11/h10-11H,5-9H2,1-4H3,(H3,19,21,22,23);9-10H,4-8H2,1-3H3,(H3,19,21,22,23);7-8,11,21H,3-6,9H2,1-2H3,(H3,16,18,19,20);4-5,8,22H,2-3,6H2,1H3,(H3,17,19,20,21);5,8,20H,3-4,6H2,1-2H3,(H3,15,17,18,19);5-6,8,19-20H,2-4,7H2,1H3,(H3,14,16,17,18)/t18-;17-;11-;3*8-/m101001/s1
• InChIKey: JUOUIHLXRVKIGW-WKKBMOHXSA-N
• XLogP: 14.87
• TPSA: 595.61 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 37
• Rotatable Bonds: 39
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1840.64
LogP ≤ 5	14.87
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-amino-4-[[(2R)-1-hydroxyhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-ol;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol?

The IUPAC name of (5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-amino-4-[[(2R)-1-hydroxyhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-ol;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol (CID 159028544) is (5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-amino-4-[[(2R)-1-hydroxyhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-ol;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol.

What is the SMILES notation for (5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-amino-4-[[(2R)-1-hydroxyhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-ol;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol?

The canonical SMILES for (5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-amino-4-[[(2R)-1-hydroxyhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-ol;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol is CCCC[C@@](C)(CCC(C)=O)Nc1nc(N)nc2cc(Cl)cnc12.CCCC[C@H](CO)Nc1nc(N)nc2cc(CC)cnc12.CCCC[C@H](CO)Nc1nc(N)nc2cc(O)cnc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cc(C)cnc12.CCC[C@@H](CO)Nc1nc(N)nc2cc(C(F)(F)F)cnc12.CCC[C@@H](CO)Nc1nc(N)nc2cc(F)c(C)nc12.

What is the InChIKey of (5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-amino-4-[[(2R)-1-hydroxyhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-ol;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol?

The InChIKey is JUOUIHLXRVKIGW-WKKBMOHXSA-N. The full InChI is InChI=1S/C18H27N5O.C17H24ClN5O.C15H23N5O.C13H16F3N5O.C13H18FN5O.C13H19N5O2/c1-5-6-8-18(4,9-7-13(3)24)23-16-15-14(21-17(19)22-16)10-12(2)11-20-15;1-4-5-7-17(3,8-6-11(2)24)23-15-14-13(21-16(19)22-15)9-12(18)10-20-14;1-3-5-6-11(9-21)18-14-13-12(19-15(16)20-14)7-10(4-2)8-17-13;1-2-3-8(6-22)19-11-10-9(20-12(17)21-11)4-7(5-18-10)13(14,15)16;1-3-4-8(6-20)17-12-11-10(18-13(15)19-12)5-9(14)7(2)16-11;1-2-3-4-8(7-19)16-12-11-10(17-13(14)18-12)5-9(20)6-15-11/h10-11H,5-9H2,1-4H3,(H3,19,21,22,23);9-10H,4-8H2,1-3H3,(H3,19,21,22,23);7-8,11,21H,3-6,9H2,1-2H3,(H3,16,18,19,20);4-5,8,22H,2-3,6H2,1H3,(H3,17,19,20,21);5,8,20H,3-4,6H2,1-2H3,(H3,15,17,18,19);5-6,8,19-20H,2-4,7H2,1H3,(H3,14,16,17,18)/t18-;17-;11-;3*8-/m101001/s1.

What are the key properties of (5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-amino-4-[[(2R)-1-hydroxyhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-ol;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol?

(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-amino-4-[[(2R)-1-hydroxyhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-ol;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol has a molecular weight of 1840.64 g/mol, XLogP of 14.87, 39 rotatable bonds, 17 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-amino-4-[[(2R)-1-hydroxyhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-ol;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol is sourced from PubChem (CID 159028544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).