4-ethoxy-N-[1-[2-ethyl-2-(1-methyl-3-morpholin-4-ylcyclobutyl)hydrazinyl]propan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C22H37N7O2 — CID 163455040

About 4-ethoxy-N-[1-[2-ethyl-2-(1-methyl-3-morpholin-4-ylcyclobutyl)hydrazinyl]propan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

4-ethoxy-N-[1-[2-ethyl-2-(1-methyl-3-morpholin-4-ylcyclobutyl)hydrazinyl]propan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 163455040) has the molecular formula C22H37N7O2 and a molecular weight of 431.59 g/mol. Its IUPAC name is 4-ethoxy-N-[1-[2-ethyl-2-(1-methyl-3-morpholin-4-ylcyclobutyl)hydrazinyl]propan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-ethoxy-N-[1-[2-ethyl-2-(1-methyl-3-morpholin-4-ylcyclobutyl)hydrazinyl]propan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
• PubChem CID: 163455040
• Molecular Formula: C22H37N7O2
• Molecular Weight: 431.59 g/mol
• Exact Mass: 431.30
• IUPAC Name: 4-ethoxy-N-[1-[2-ethyl-2-(1-methyl-3-morpholin-4-ylcyclobutyl)hydrazinyl]propan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
• SMILES: CCOc1nc(NC(C)CNN(CC)C2(C)CC(N3CCOCC3)C2)nc2[nH]ccc12
• InChI: InChI=1S/C22H37N7O2/c1-5-29(22(4)13-17(14-22)28-9-11-30-12-10-28)24-15-16(3)25-21-26-19-18(7-8-23-19)20(27-21)31-6-2/h7-8,16-17,24H,5-6,9-15H2,1-4H3,(H2,23,25,26,27)
• InChIKey: BJSFOEAHCZNEJK-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 90.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.59
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[1-[2-ethyl-2-(1-methyl-3-morpholin-4-ylcyclobutyl)hydrazinyl]propan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?

The IUPAC name of 4-ethoxy-N-[1-[2-ethyl-2-(1-methyl-3-morpholin-4-ylcyclobutyl)hydrazinyl]propan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 163455040) is 4-ethoxy-N-[1-[2-ethyl-2-(1-methyl-3-morpholin-4-ylcyclobutyl)hydrazinyl]propan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

What is the SMILES notation for 4-ethoxy-N-[1-[2-ethyl-2-(1-methyl-3-morpholin-4-ylcyclobutyl)hydrazinyl]propan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?

The canonical SMILES for 4-ethoxy-N-[1-[2-ethyl-2-(1-methyl-3-morpholin-4-ylcyclobutyl)hydrazinyl]propan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is CCOc1nc(NC(C)CNN(CC)C2(C)CC(N3CCOCC3)C2)nc2[nH]ccc12.

What is the InChIKey of 4-ethoxy-N-[1-[2-ethyl-2-(1-methyl-3-morpholin-4-ylcyclobutyl)hydrazinyl]propan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?

The InChIKey is BJSFOEAHCZNEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N7O2/c1-5-29(22(4)13-17(14-22)28-9-11-30-12-10-28)24-15-16(3)25-21-26-19-18(7-8-23-19)20(27-21)31-6-2/h7-8,16-17,24H,5-6,9-15H2,1-4H3,(H2,23,25,26,27).

What are the key properties of 4-ethoxy-N-[1-[2-ethyl-2-(1-methyl-3-morpholin-4-ylcyclobutyl)hydrazinyl]propan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?

4-ethoxy-N-[1-[2-ethyl-2-(1-methyl-3-morpholin-4-ylcyclobutyl)hydrazinyl]propan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 431.59 g/mol, XLogP of 2.24, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethoxy-N-[1-[2-ethyl-2-(1-methyl-3-morpholin-4-ylcyclobutyl)hydrazinyl]propan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 163455040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).