5-[6-amino-2-[2-(1-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl)ethynyl]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide

C24H32N6O5 — CID 69196664

About 5-[6-amino-2-[2-(1-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl)ethynyl]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide

5-[6-amino-2-[2-(1-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl)ethynyl]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide (PubChem CID 69196664) has the molecular formula C24H32N6O5 and a molecular weight of 484.56 g/mol. Its IUPAC name is 5-[6-amino-2-[2-(1-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl)ethynyl]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide.

Molecular Properties

• Compound Name: 5-[6-amino-2-[2-(1-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl)ethynyl]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
• PubChem CID: 69196664
• Molecular Formula: C24H32N6O5
• Molecular Weight: 484.56 g/mol
• Exact Mass: 484.24
• IUPAC Name: 5-[6-amino-2-[2-(1-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl)ethynyl]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
• SMILES: CCNC(=O)C1OC(n2cnc3c(N)nc(C#CC4(O)CCCC5CCCCC54)nc32)C(O)C1O
• InChI: InChI=1S/C24H32N6O5/c1-2-26-22(33)19-17(31)18(32)23(35-19)30-12-27-16-20(25)28-15(29-21(16)30)9-11-24(34)10-5-7-13-6-3-4-8-14(13)24/h12-14,17-19,23,31-32,34H,2-8,10H2,1H3,(H,26,33)(H2,25,28,29)
• InChIKey: OLFQTFLLZKNOQA-UHFFFAOYSA-N
• XLogP: 0.24
• TPSA: 168.64 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.56
LogP ≤ 5	0.24
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[6-amino-2-[2-(1-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl)ethynyl]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide?

The IUPAC name of 5-[6-amino-2-[2-(1-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl)ethynyl]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide (CID 69196664) is 5-[6-amino-2-[2-(1-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl)ethynyl]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide.

What is the SMILES notation for 5-[6-amino-2-[2-(1-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl)ethynyl]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide?

The canonical SMILES for 5-[6-amino-2-[2-(1-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl)ethynyl]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide is CCNC(=O)C1OC(n2cnc3c(N)nc(C#CC4(O)CCCC5CCCCC54)nc32)C(O)C1O.

What is the InChIKey of 5-[6-amino-2-[2-(1-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl)ethynyl]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide?

The InChIKey is OLFQTFLLZKNOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O5/c1-2-26-22(33)19-17(31)18(32)23(35-19)30-12-27-16-20(25)28-15(29-21(16)30)9-11-24(34)10-5-7-13-6-3-4-8-14(13)24/h12-14,17-19,23,31-32,34H,2-8,10H2,1H3,(H,26,33)(H2,25,28,29).

What are the key properties of 5-[6-amino-2-[2-(1-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl)ethynyl]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide?

5-[6-amino-2-[2-(1-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl)ethynyl]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide has a molecular weight of 484.56 g/mol, XLogP of 0.24, 3 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-amino-2-[2-(1-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl)ethynyl]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide is sourced from PubChem (CID 69196664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).