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

C84H122Cl2FN25O5 — CID 160852198

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

(5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(2S)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one (PubChem CID 160852198) has the molecular formula C84H122Cl2FN25O5 and a molecular weight of 1651.97 g/mol. Its IUPAC name is (5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(2S)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one.

Molecular Properties

• Compound Name: (5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(2S)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one
• PubChem CID: 160852198
• Molecular Formula: C84H122Cl2FN25O5
• Molecular Weight: 1651.97 g/mol
• Exact Mass: 1649.94
• IUPAC Name: (5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(2S)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one
• SMILES: CCCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cc(Cl)cnc12.CCCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cccnc12.CCCC[C@@](C)(CCC(C)=O)Nc1nc(N)nc2cc(F)cnc12.CCCC[C@@](C)(CCC(C)=O)Nc1nc(N)nc2cccnc12.CCCC[C@@](C)(CO)Nc1nc(N)nc2cc(Cl)cnc12
• InChI: InChI=1S/C18H26ClN5O.C18H27N5O.C17H24FN5O.C17H25N5O.C14H20ClN5O/c1-4-5-6-8-18(3,9-7-12(2)25)24-16-15-14(22-17(20)23-16)10-13(19)11-21-15;1-4-5-6-10-18(3,11-9-13(2)24)23-16-15-14(8-7-12-20-15)21-17(19)22-16;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;1-4-5-9-17(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/h10-11H,4-9H2,1-3H3,(H3,20,22,23,24);7-8,12H,4-6,9-11H2,1-3H3,(H3,19,21,22,23);9-10H,4-8H2,1-3H3,(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)/t2*18-;2*17-;14-/m11000/s1
• InChIKey: SJKCPRZMMDPMQZ-BVTSNGGYSA-N
• XLogP: 17.53
• TPSA: 472.11 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 30
• Rotatable Bonds: 40
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1651.97
LogP ≤ 5	17.53
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of (5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(2S)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one (CID 160852198) is (5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(2S)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one.

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

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

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

The InChIKey is SJKCPRZMMDPMQZ-BVTSNGGYSA-N. The full InChI is InChI=1S/C18H26ClN5O.C18H27N5O.C17H24FN5O.C17H25N5O.C14H20ClN5O/c1-4-5-6-8-18(3,9-7-12(2)25)24-16-15-14(22-17(20)23-16)10-13(19)11-21-15;1-4-5-6-10-18(3,11-9-13(2)24)23-16-15-14(8-7-12-20-15)21-17(19)22-16;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;1-4-5-9-17(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/h10-11H,4-9H2,1-3H3,(H3,20,22,23,24);7-8,12H,4-6,9-11H2,1-3H3,(H3,19,21,22,23);9-10H,4-8H2,1-3H3,(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)/t2*18-;2*17-;14-/m11000/s1.

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

(5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(2S)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one has a molecular weight of 1651.97 g/mol, XLogP of 17.53, 40 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(2S)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one is sourced from PubChem (CID 160852198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).