(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-methylpyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;methane;palladium;tris(tetraphenyl-λ5-phosphane);2,2,2-trifluoroacetaldehyde

C146H166ClF3N15O8P3Pd — CID 162161594

About (5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-methylpyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;methane;palladium;tris(tetraphenyl-λ5-phosphane);2,2,2-trifluoroacetaldehyde

(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-methylpyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;methane;palladium;tris(tetraphenyl-λ5-phosphane);2,2,2-trifluoroacetaldehyde (PubChem CID 162161594) has the molecular formula C146H166ClF3N15O8P3Pd and a molecular weight of 2550.82 g/mol. Its IUPAC name is (5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-methylpyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;methane;palladium;tris(tetraphenyl-λ5-phosphane);2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: (5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-methylpyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;methane;palladium;tris(tetraphenyl-λ5-phosphane);2,2,2-trifluoroacetaldehyde
• PubChem CID: 162161594
• Molecular Formula: C146H166ClF3N15O8P3Pd
• Molecular Weight: 2550.82 g/mol
• Exact Mass: 2548.09
• IUPAC Name: (5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-methylpyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;methane;palladium;tris(tetraphenyl-λ5-phosphane);2,2,2-trifluoroacetaldehyde
• SMILES: C.CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cc(C)cnc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(C)cnc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(Cl)cnc12.O=CC(F)(F)F.[Pd].c1ccc([PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C27H37N5O3.C26H34ClN5O3.3C24H21P.C18H27N5O.C2HF3O.CH4.Pd/c1-7-8-12-27(4,13-11-19(3)33)32-25-24-22(14-18(2)16-28-24)30-26(31-25)29-17-20-9-10-21(34-5)15-23(20)35-6;1-6-7-11-26(3,12-10-17(2)33)32-24-23-21(13-19(27)16-28-23)30-25(31-24)29-15-18-8-9-20(34-4)14-22(18)35-5;3*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-5-6-8-18(4,9-7-13(3)24)23-16-15-14(21-17(19)22-16)10-12(2)11-20-15;3-2(4,5)1-6;;/h9-10,14-16H,7-8,11-13,17H2,1-6H3,(H2,29,30,31,32);8-9,13-14,16H,6-7,10-12,15H2,1-5H3,(H2,29,30,31,32);3*1-20,25H;10-11H,5-9H2,1-4H3,(H3,19,21,22,23);1H;1H4;/t27-;26-;;;;18-;;;/m11...1.../s1
• InChIKey: ZKNLFORSMTYCQH-RHXQTAPLSA-N
• XLogP: 28.87
• TPSA: 307.38 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 46
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2550.82
LogP ≤ 5	28.87
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-methylpyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;methane;palladium;tris(tetraphenyl-λ5-phosphane);2,2,2-trifluoroacetaldehyde?

The IUPAC name of (5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-methylpyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;methane;palladium;tris(tetraphenyl-λ5-phosphane);2,2,2-trifluoroacetaldehyde (CID 162161594) is (5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-methylpyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;methane;palladium;tris(tetraphenyl-λ5-phosphane);2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for (5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-methylpyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;methane;palladium;tris(tetraphenyl-λ5-phosphane);2,2,2-trifluoroacetaldehyde?

The canonical SMILES for (5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-methylpyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;methane;palladium;tris(tetraphenyl-λ5-phosphane);2,2,2-trifluoroacetaldehyde is C.CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cc(C)cnc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(C)cnc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(Cl)cnc12.O=CC(F)(F)F.[Pd].c1ccc([PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of (5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-methylpyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;methane;palladium;tris(tetraphenyl-λ5-phosphane);2,2,2-trifluoroacetaldehyde?

The InChIKey is ZKNLFORSMTYCQH-RHXQTAPLSA-N. The full InChI is InChI=1S/C27H37N5O3.C26H34ClN5O3.3C24H21P.C18H27N5O.C2HF3O.CH4.Pd/c1-7-8-12-27(4,13-11-19(3)33)32-25-24-22(14-18(2)16-28-24)30-26(31-25)29-17-20-9-10-21(34-5)15-23(20)35-6;1-6-7-11-26(3,12-10-17(2)33)32-24-23-21(13-19(27)16-28-23)30-25(31-24)29-15-18-8-9-20(34-4)14-22(18)35-5;3*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-5-6-8-18(4,9-7-13(3)24)23-16-15-14(21-17(19)22-16)10-12(2)11-20-15;3-2(4,5)1-6;;/h9-10,14-16H,7-8,11-13,17H2,1-6H3,(H2,29,30,31,32);8-9,13-14,16H,6-7,10-12,15H2,1-5H3,(H2,29,30,31,32);3*1-20,25H;10-11H,5-9H2,1-4H3,(H3,19,21,22,23);1H;1H4;/t27-;26-;;;;18-;;;/m11...1.../s1.

What are the key properties of (5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-methylpyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;methane;palladium;tris(tetraphenyl-λ5-phosphane);2,2,2-trifluoroacetaldehyde?

(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-methylpyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;methane;palladium;tris(tetraphenyl-λ5-phosphane);2,2,2-trifluoroacetaldehyde has a molecular weight of 2550.82 g/mol, XLogP of 28.87, 46 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-methylpyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;methane;palladium;tris(tetraphenyl-λ5-phosphane);2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 162161594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).