propan-2-yl 2-[2-[[5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methoxy]hydrazinyl]acetate

C17H28N8O4 — CID 170602311

About propan-2-yl 2-[2-[[5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methoxy]hydrazinyl]acetate

propan-2-yl 2-[2-[[5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methoxy]hydrazinyl]acetate (PubChem CID 170602311) has the molecular formula C17H28N8O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is propan-2-yl 2-[2-[[5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methoxy]hydrazinyl]acetate.

Molecular Properties

• Compound Name: propan-2-yl 2-[2-[[5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methoxy]hydrazinyl]acetate
• PubChem CID: 170602311
• Molecular Formula: C17H28N8O4
• Molecular Weight: 408.46 g/mol
• Exact Mass: 408.22
• IUPAC Name: propan-2-yl 2-[2-[[5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methoxy]hydrazinyl]acetate
• SMILES: CNc1nc(N)nc2c1ncn2C1OC(CONNCC(=O)OC(C)C)CC1C
• InChI: InChI=1S/C17H28N8O4/c1-9(2)28-12(26)6-21-24-27-7-11-5-10(3)16(29-11)25-8-20-13-14(19-4)22-17(18)23-15(13)25/h8-11,16,21,24H,5-7H2,1-4H3,(H3,18,19,22,23)
• InChIKey: ZVQOSBLNHDPQPL-UHFFFAOYSA-N
• XLogP: 0.35
• TPSA: 150.47 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.46
LogP ≤ 5	0.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[2-[[5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methoxy]hydrazinyl]acetate?

The IUPAC name of propan-2-yl 2-[2-[[5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methoxy]hydrazinyl]acetate (CID 170602311) is propan-2-yl 2-[2-[[5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methoxy]hydrazinyl]acetate.

What is the SMILES notation for propan-2-yl 2-[2-[[5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methoxy]hydrazinyl]acetate?

The canonical SMILES for propan-2-yl 2-[2-[[5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methoxy]hydrazinyl]acetate is CNc1nc(N)nc2c1ncn2C1OC(CONNCC(=O)OC(C)C)CC1C.

What is the InChIKey of propan-2-yl 2-[2-[[5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methoxy]hydrazinyl]acetate?

The InChIKey is ZVQOSBLNHDPQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N8O4/c1-9(2)28-12(26)6-21-24-27-7-11-5-10(3)16(29-11)25-8-20-13-14(19-4)22-17(18)23-15(13)25/h8-11,16,21,24H,5-7H2,1-4H3,(H3,18,19,22,23).

What are the key properties of propan-2-yl 2-[2-[[5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methoxy]hydrazinyl]acetate?

propan-2-yl 2-[2-[[5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methoxy]hydrazinyl]acetate has a molecular weight of 408.46 g/mol, XLogP of 0.35, 9 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl 2-[2-[[5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methoxy]hydrazinyl]acetate is sourced from PubChem (CID 170602311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).