2-[[1-(2-ethoxyethyl)-3-(methylaminomethyl)-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidin-5-yl]methylamino]ethanol

C20H30N8O2 — CID 69051990

About 2-[[1-(2-ethoxyethyl)-3-(methylaminomethyl)-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidin-5-yl]methylamino]ethanol

2-[[1-(2-ethoxyethyl)-3-(methylaminomethyl)-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidin-5-yl]methylamino]ethanol (PubChem CID 69051990) has the molecular formula C20H30N8O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-[[1-(2-ethoxyethyl)-3-(methylaminomethyl)-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidin-5-yl]methylamino]ethanol.

Molecular Properties

• Compound Name: 2-[[1-(2-ethoxyethyl)-3-(methylaminomethyl)-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidin-5-yl]methylamino]ethanol
• PubChem CID: 69051990
• Molecular Formula: C20H30N8O2
• Molecular Weight: 414.51 g/mol
• Exact Mass: 414.25
• IUPAC Name: 2-[[1-(2-ethoxyethyl)-3-(methylaminomethyl)-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidin-5-yl]methylamino]ethanol
• SMILES: CCOCCn1nc(CNC)c2nc(CNCCO)nc(Nc3cc(C)ccn3)c21
• InChI: InChI=1S/C20H30N8O2/c1-4-30-10-8-28-19-18(15(27-28)12-21-3)24-17(13-22-7-9-29)26-20(19)25-16-11-14(2)5-6-23-16/h5-6,11,21-22,29H,4,7-10,12-13H2,1-3H3,(H,23,24,25,26)
• InChIKey: HXFWSRUJRIFCHD-UHFFFAOYSA-N
• XLogP: 1.11
• TPSA: 122.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.51
LogP ≤ 5	1.11
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-ethoxyethyl)-3-(methylaminomethyl)-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidin-5-yl]methylamino]ethanol?

The IUPAC name of 2-[[1-(2-ethoxyethyl)-3-(methylaminomethyl)-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidin-5-yl]methylamino]ethanol (CID 69051990) is 2-[[1-(2-ethoxyethyl)-3-(methylaminomethyl)-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidin-5-yl]methylamino]ethanol.

What is the SMILES notation for 2-[[1-(2-ethoxyethyl)-3-(methylaminomethyl)-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidin-5-yl]methylamino]ethanol?

The canonical SMILES for 2-[[1-(2-ethoxyethyl)-3-(methylaminomethyl)-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidin-5-yl]methylamino]ethanol is CCOCCn1nc(CNC)c2nc(CNCCO)nc(Nc3cc(C)ccn3)c21.

What is the InChIKey of 2-[[1-(2-ethoxyethyl)-3-(methylaminomethyl)-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidin-5-yl]methylamino]ethanol?

The InChIKey is HXFWSRUJRIFCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N8O2/c1-4-30-10-8-28-19-18(15(27-28)12-21-3)24-17(13-22-7-9-29)26-20(19)25-16-11-14(2)5-6-23-16/h5-6,11,21-22,29H,4,7-10,12-13H2,1-3H3,(H,23,24,25,26).

What are the key properties of 2-[[1-(2-ethoxyethyl)-3-(methylaminomethyl)-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidin-5-yl]methylamino]ethanol?

2-[[1-(2-ethoxyethyl)-3-(methylaminomethyl)-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidin-5-yl]methylamino]ethanol has a molecular weight of 414.51 g/mol, XLogP of 1.11, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[1-(2-ethoxyethyl)-3-(methylaminomethyl)-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidin-5-yl]methylamino]ethanol is sourced from PubChem (CID 69051990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).