Adamantane;7H-purine

C₁₅H₂₀N₄ — CID 175120168

About Adamantane;7H-purine

Adamantane;7H-purine (PubChem CID 175120168) has the molecular formula C₁₅H₂₀N₄ and a molecular weight of 256.35 g/mol. Its IUPAC name is adamantane;7H-purine.

Molecular Properties

• Compound Name: Adamantane;7H-purine
• PubChem CID: 175120168
• Molecular Formula: C₁₅H₂₀N₄
• Molecular Weight: 256.35 g/mol
• Exact Mass: 256.17
• IUPAC Name: adamantane;7H-purine
• SMILES: C1C2CC3CC1CC(C2)C3.c1ncc2[nH]cnc2n1
• InChI: InChI=1S/C10H16.C5H4N4/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-4-5(8-2-6-1)9-3-7-4/h7-10H,1-6H2;1-3H,(H,6,7,8,9)
• InChIKey: RWOWFACRWLFBOB-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	256.35
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Adamantane;7H-purine?

The IUPAC name of Adamantane;7H-purine (CID 175120168) is adamantane;7H-purine.

What is the SMILES notation for Adamantane;7H-purine?

The canonical SMILES for Adamantane;7H-purine is C1C2CC3CC1CC(C2)C3.c1ncc2[nH]cnc2n1.

What is the InChIKey of Adamantane;7H-purine?

The InChIKey is RWOWFACRWLFBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.C5H4N4/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-4-5(8-2-6-1)9-3-7-4/h7-10H,1-6H2;1-3H,(H,6,7,8,9).

What are the key properties of Adamantane;7H-purine?

Adamantane;7H-purine has a molecular weight of 256.35 g/mol, XLogP of 3.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Adamantane;7H-purine is sourced from PubChem (CID 175120168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 175120168 — identifiers, structure, computed properties (public domain)

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