(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;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluorohexan-1-ol;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol

C85H121F5N30O7 — CID 167566222

About (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;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluorohexan-1-ol;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol

(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;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluorohexan-1-ol;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol (PubChem CID 167566222) has the molecular formula C85H121F5N30O7 and a molecular weight of 1770.10 g/mol. Its IUPAC name is (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;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluorohexan-1-ol;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol.

Molecular Properties

• Compound Name: (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;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluorohexan-1-ol;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol
• PubChem CID: 167566222
• Molecular Formula: C85H121F5N30O7
• Molecular Weight: 1770.10 g/mol
• Exact Mass: 1769.00
• IUPAC Name: (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;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluorohexan-1-ol;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol
• SMILES: CC(F)CC[C@H](CO)Nc1nc(N)nc2cccnc12.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.C15H23N5O.C13H16F3N5O.2C13H18FN5O.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;1-3-5-6-11(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;1-8(14)4-5-9(7-20)17-12-11-10(3-2-6-16-11)18-13(15)19-12;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);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);2-3,6,8-9,20H,4-5,7H2,1H3,(H3,15,17,18,19);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-;11-;8-;8?,9-;2*8-/m110101/s1
• InChIKey: FHYUBKMUSSMMDP-MRRJJKJLSA-N
• XLogP: 12.40
• TPSA: 598.77 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 37
• Rotatable Bonds: 37
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1770.10
LogP ≤ 5	12.40
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of (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;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluorohexan-1-ol;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol?

The IUPAC name of (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;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluorohexan-1-ol;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol (CID 167566222) is (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;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluorohexan-1-ol;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol.

What is the SMILES notation for (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;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluorohexan-1-ol;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol?

The canonical SMILES for (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;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluorohexan-1-ol;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol is CC(F)CC[C@H](CO)Nc1nc(N)nc2cccnc12.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 (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;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluorohexan-1-ol;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol?

The InChIKey is FHYUBKMUSSMMDP-MRRJJKJLSA-N. The full InChI is InChI=1S/C18H27N5O.C15H23N5O.C13H16F3N5O.2C13H18FN5O.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;1-3-5-6-11(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;1-8(14)4-5-9(7-20)17-12-11-10(3-2-6-16-11)18-13(15)19-12;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);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);2-3,6,8-9,20H,4-5,7H2,1H3,(H3,15,17,18,19);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-;11-;8-;8?,9-;2*8-/m110101/s1.

What are the key properties of (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;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluorohexan-1-ol;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol?

(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;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluorohexan-1-ol;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol has a molecular weight of 1770.10 g/mol, XLogP of 12.40, 37 rotatable bonds, 18 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for (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;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluorohexan-1-ol;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol is sourced from PubChem (CID 167566222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).