sodium;(2R)-2-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-ethoxypyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;ethanolate;2,2,2-trifluoroacetaldehyde

C65H90ClF3N15NaO11 — CID 159184585

About sodium;(2R)-2-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-ethoxypyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;ethanolate;2,2,2-trifluoroacetaldehyde

sodium;(2R)-2-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-ethoxypyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;ethanolate;2,2,2-trifluoroacetaldehyde (PubChem CID 159184585) has the molecular formula C65H90ClF3N15NaO11 and a molecular weight of 1372.97 g/mol. Its IUPAC name is sodium;(2R)-2-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-ethoxypyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;ethanolate;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: sodium;(2R)-2-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-ethoxypyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;ethanolate;2,2,2-trifluoroacetaldehyde
• PubChem CID: 159184585
• Molecular Formula: C65H90ClF3N15NaO11
• Molecular Weight: 1372.97 g/mol
• Exact Mass: 1371.65
• IUPAC Name: sodium;(2R)-2-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-ethoxypyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;ethanolate;2,2,2-trifluoroacetaldehyde
• SMILES: CCCC[C@H](CO)Nc1nc(N)nc2cc(OCC)cnc12.CCCC[C@H](CO)Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(Cl)cnc12.CCCC[C@H](CO)Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(OCC)cnc12.CC[O-].O=CC(F)(F)F.[Na+]
• InChI: InChI=1S/C24H33N5O4.C22H28ClN5O3.C15H23N5O2.C2HF3O.C2H5O.Na/c1-5-7-8-17(15-30)27-23-22-20(11-19(14-25-22)33-6-2)28-24(29-23)26-13-16-9-10-18(31-3)12-21(16)32-4;1-4-5-6-16(13-29)26-21-20-18(9-15(23)12-24-20)27-22(28-21)25-11-14-7-8-17(30-2)10-19(14)31-3;1-3-5-6-10(9-21)18-14-13-12(19-15(16)20-14)7-11(8-17-13)22-4-2;3-2(4,5)1-6;1-2-3;/h9-12,14,17,30H,5-8,13,15H2,1-4H3,(H2,26,27,28,29);7-10,12,16,29H,4-6,11,13H2,1-3H3,(H2,25,26,27,28);7-8,10,21H,3-6,9H2,1-2H3,(H3,16,18,19,20);1H;2H2,1H3;/q;;;;-1;+1/t17-;16-;10-;;;/m111.../s1
• InChIKey: KNIABCUHWSZLGS-GOYGHGPOSA-N
• XLogP: 7.37
• TPSA: 358.38 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 32
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1372.97
LogP ≤ 5	7.37
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;(2R)-2-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-ethoxypyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;ethanolate;2,2,2-trifluoroacetaldehyde?

The IUPAC name of sodium;(2R)-2-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-ethoxypyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;ethanolate;2,2,2-trifluoroacetaldehyde (CID 159184585) is sodium;(2R)-2-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-ethoxypyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;ethanolate;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for sodium;(2R)-2-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-ethoxypyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;ethanolate;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for sodium;(2R)-2-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-ethoxypyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;ethanolate;2,2,2-trifluoroacetaldehyde is CCCC[C@H](CO)Nc1nc(N)nc2cc(OCC)cnc12.CCCC[C@H](CO)Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(Cl)cnc12.CCCC[C@H](CO)Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(OCC)cnc12.CC[O-].O=CC(F)(F)F.[Na+].

What is the InChIKey of sodium;(2R)-2-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-ethoxypyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;ethanolate;2,2,2-trifluoroacetaldehyde?

The InChIKey is KNIABCUHWSZLGS-GOYGHGPOSA-N. The full InChI is InChI=1S/C24H33N5O4.C22H28ClN5O3.C15H23N5O2.C2HF3O.C2H5O.Na/c1-5-7-8-17(15-30)27-23-22-20(11-19(14-25-22)33-6-2)28-24(29-23)26-13-16-9-10-18(31-3)12-21(16)32-4;1-4-5-6-16(13-29)26-21-20-18(9-15(23)12-24-20)27-22(28-21)25-11-14-7-8-17(30-2)10-19(14)31-3;1-3-5-6-10(9-21)18-14-13-12(19-15(16)20-14)7-11(8-17-13)22-4-2;3-2(4,5)1-6;1-2-3;/h9-12,14,17,30H,5-8,13,15H2,1-4H3,(H2,26,27,28,29);7-10,12,16,29H,4-6,11,13H2,1-3H3,(H2,25,26,27,28);7-8,10,21H,3-6,9H2,1-2H3,(H3,16,18,19,20);1H;2H2,1H3;/q;;;;-1;+1/t17-;16-;10-;;;/m111.../s1.

What are the key properties of sodium;(2R)-2-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-ethoxypyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;ethanolate;2,2,2-trifluoroacetaldehyde?

sodium;(2R)-2-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-ethoxypyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;ethanolate;2,2,2-trifluoroacetaldehyde has a molecular weight of 1372.97 g/mol, XLogP of 7.37, 32 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;(2R)-2-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-ethoxypyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;ethanolate;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 159184585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).