(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol

C₇₆H₁₁₂FN₂₅O₅ — CID 159451509

About (2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol

(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol (PubChem CID 159451509) has the molecular formula C₇₆H₁₁₂FN₂₅O₅ and a molecular weight of 1474.90 g/mol. Its IUPAC name is (2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol.

Molecular Properties

• Compound Name: (2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol
• PubChem CID: 159451509
• Molecular Formula: C₇₆H₁₁₂FN₂₅O₅
• Molecular Weight: 1474.90 g/mol
• Exact Mass: 1473.93
• IUPAC Name: (2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol
• SMILES: CCCC[C@@](C)(CCC(C)=O)Nc1nc(N)nc2c(C)ccnc12.CCCC[C@@](C)(CCC(C)=O)Nc1nc(N)nc2cccnc12.CCCC[C@@](C)(CO)Nc1nc(N)nc2cc(F)cnc12.CCCC[C@@](C)(CO)Nc1nc(N)nc2cccnc12.CCC[C@](C)(CO)Nc1nc(N)nc2cccnc12
• InChI: InChI=1S/C18H27N5O.C17H25N5O.C14H20FN5O.C14H21N5O.C13H19N5O/c1-5-6-9-18(4,10-7-13(3)24)23-16-15-14(21-17(19)22-16)12(2)8-11-20-15;1-4-5-9-17(3,10-8-12(2)23)22-15-14-13(7-6-11-19-14)20-16(18)21-15;1-3-4-5-14(2,8-21)20-12-11-10(18-13(16)19-12)6-9(15)7-17-11;1-3-4-7-14(2,9-20)19-12-11-10(6-5-8-16-11)17-13(15)18-12;1-3-6-13(2,8-19)18-11-10-9(5-4-7-15-10)16-12(14)17-11/h8,11H,5-7,9-10H2,1-4H3,(H3,19,21,22,23);6-7,11H,4-5,8-10H2,1-3H3,(H3,18,20,21,22);6-7,21H,3-5,8H2,1-2H3,(H3,16,18,19,20);5-6,8,20H,3-4,7,9H2,1-2H3,(H3,15,17,18,19);4-5,7,19H,3,6,8H2,1-2H3,(H3,14,16,17,18)/t18-;17-;2*14-;13-/m00001/s1
• InChIKey: LTLBIFTWTWTEFZ-JLRRYRFSSA-N
• XLogP: 12.61
• TPSA: 478.43 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 30
• Rotatable Bonds: 33
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1474.90
LogP ≤ 5	12.61
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol?

The IUPAC name of (2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol (CID 159451509) is (2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol.

What is the SMILES notation for (2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol?

The canonical SMILES for (2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol is CCCC[C@@](C)(CCC(C)=O)Nc1nc(N)nc2c(C)ccnc12.CCCC[C@@](C)(CCC(C)=O)Nc1nc(N)nc2cccnc12.CCCC[C@@](C)(CO)Nc1nc(N)nc2cc(F)cnc12.CCCC[C@@](C)(CO)Nc1nc(N)nc2cccnc12.CCC[C@](C)(CO)Nc1nc(N)nc2cccnc12.

What is the InChIKey of (2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol?

The InChIKey is LTLBIFTWTWTEFZ-JLRRYRFSSA-N. The full InChI is InChI=1S/C18H27N5O.C17H25N5O.C14H20FN5O.C14H21N5O.C13H19N5O/c1-5-6-9-18(4,10-7-13(3)24)23-16-15-14(21-17(19)22-16)12(2)8-11-20-15;1-4-5-9-17(3,10-8-12(2)23)22-15-14-13(7-6-11-19-14)20-16(18)21-15;1-3-4-5-14(2,8-21)20-12-11-10(18-13(16)19-12)6-9(15)7-17-11;1-3-4-7-14(2,9-20)19-12-11-10(6-5-8-16-11)17-13(15)18-12;1-3-6-13(2,8-19)18-11-10-9(5-4-7-15-10)16-12(14)17-11/h8,11H,5-7,9-10H2,1-4H3,(H3,19,21,22,23);6-7,11H,4-5,8-10H2,1-3H3,(H3,18,20,21,22);6-7,21H,3-5,8H2,1-2H3,(H3,16,18,19,20);5-6,8,20H,3-4,7,9H2,1-2H3,(H3,15,17,18,19);4-5,7,19H,3,6,8H2,1-2H3,(H3,14,16,17,18)/t18-;17-;2*14-;13-/m00001/s1.

What are the key properties of (2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol?

(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol has a molecular weight of 1474.90 g/mol, XLogP of 12.61, 33 rotatable bonds, 13 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol is sourced from PubChem (CID 159451509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159451509 — identifiers, structure, computed properties (public domain)

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