(5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(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;7-fluoro-4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine

C131H192Cl2F2N40O5 — CID 160992644

About (5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(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;7-fluoro-4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine

(5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(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;7-fluoro-4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine (PubChem CID 160992644) has the molecular formula C131H192Cl2F2N40O5 and a molecular weight of 2516.15 g/mol. Its IUPAC name is (5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(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;7-fluoro-4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: (5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(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;7-fluoro-4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine
• PubChem CID: 160992644
• Molecular Formula: C131H192Cl2F2N40O5
• Molecular Weight: 2516.15 g/mol
• Exact Mass: 2513.53
• IUPAC Name: (5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(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;7-fluoro-4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine
• SMILES: CCCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cc(Cl)cnc12.CCCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cccnc12.CCCC[C@@](C)(CC)Nc1nc(N)nc2cc(F)cnc12.CCCC[C@@](C)(CC)Nc1nc(N)nc2cccnc12.CCCC[C@@](C)(CCC(C)=O)Nc1nc(N)nc2cc(Cl)cnc12.CCCC[C@@](C)(CCC(C)=O)Nc1nc(N)nc2cc(F)cnc12.CCCC[C@@](C)(CCC(C)=O)Nc1nc(N)nc2cccnc12.CCC[C@](C)(CC)Nc1nc(N)nc2cccnc12
• InChI: InChI=1S/C18H26ClN5O.C18H27N5O.C17H24ClN5O.C17H24FN5O.C17H25N5O.C15H22FN5.C15H23N5.C14H21N5/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;2*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;1-4-6-7-15(3,5-2)21-13-12-11(19-14(17)20-13)8-10(16)9-18-12;1-4-6-9-15(3,5-2)20-13-12-11(8-7-10-17-12)18-14(16)19-13;1-4-8-14(3,5-2)19-12-11-10(7-6-9-16-11)17-13(15)18-12/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);2*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);8-9H,4-7H2,1-3H3,(H3,17,19,20,21);7-8,10H,4-6,9H2,1-3H3,(H3,16,18,19,20);6-7,9H,4-5,8H2,1-3H3,(H3,15,17,18,19)/t2*18-;3*17-;2*15-;14-/m11000110/s1
• InChIKey: TUVMZTANECRMGB-WXBLDYMTSA-N
• XLogP: 28.79
• TPSA: 699.11 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 45
• Rotatable Bonds: 59
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2516.15
LogP ≤ 5	28.79
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	45

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;(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(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;7-fluoro-4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine?

The IUPAC name of (5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(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;7-fluoro-4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine (CID 160992644) is (5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(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;7-fluoro-4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine.

What is the SMILES notation for (5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(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;7-fluoro-4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine?

The canonical SMILES for (5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(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;7-fluoro-4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine is CCCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cc(Cl)cnc12.CCCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cccnc12.CCCC[C@@](C)(CC)Nc1nc(N)nc2cc(F)cnc12.CCCC[C@@](C)(CC)Nc1nc(N)nc2cccnc12.CCCC[C@@](C)(CCC(C)=O)Nc1nc(N)nc2cc(Cl)cnc12.CCCC[C@@](C)(CCC(C)=O)Nc1nc(N)nc2cc(F)cnc12.CCCC[C@@](C)(CCC(C)=O)Nc1nc(N)nc2cccnc12.CCC[C@](C)(CC)Nc1nc(N)nc2cccnc12.

What is the InChIKey of (5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(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;7-fluoro-4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine?

The InChIKey is TUVMZTANECRMGB-WXBLDYMTSA-N. The full InChI is InChI=1S/C18H26ClN5O.C18H27N5O.C17H24ClN5O.C17H24FN5O.C17H25N5O.C15H22FN5.C15H23N5.C14H21N5/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;2*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;1-4-6-7-15(3,5-2)21-13-12-11(19-14(17)20-13)8-10(16)9-18-12;1-4-6-9-15(3,5-2)20-13-12-11(8-7-10-17-12)18-14(16)19-13;1-4-8-14(3,5-2)19-12-11-10(7-6-9-16-11)17-13(15)18-12/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);2*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);8-9H,4-7H2,1-3H3,(H3,17,19,20,21);7-8,10H,4-6,9H2,1-3H3,(H3,16,18,19,20);6-7,9H,4-5,8H2,1-3H3,(H3,15,17,18,19)/t2*18-;3*17-;2*15-;14-/m11000110/s1.

What are the key properties of (5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(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;7-fluoro-4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine?

(5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(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;7-fluoro-4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 2516.15 g/mol, XLogP of 28.79, 59 rotatable bonds, 16 hydrogen bond donors, and 45 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;(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(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;7-fluoro-4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 160992644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).