N-(1-adamantyl)-7H-purin-6-amine

C15H19N5 — CID 15868523

IUPACN-(1-adamantyl)-7H-purin-6-amine
SMILESc1nc(NC23CC4CC(CC(C4)C2)C3)c2[nH]cnc2n1
InChIInChI=1S/C15H19N5/c1-9-2-11-3-10(1)5-15(4-9,6-11)20-14-12-13(17-7-16-12)18-8-19-14/h7-11H,1-6H2,(H2,16,17,18,19,20)
InChIKeyBQNQPHYLGUPBGU-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.73
Rot. Bonds2

About N-(1-adamantyl)-7H-purin-6-amine

N-(1-adamantyl)-7H-purin-6-amine (PubChem CID 15868523) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(1-adamantyl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-(1-adamantyl)-7H-purin-6-amine
PubChem CID15868523
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC NameN-(1-adamantyl)-7H-purin-6-amine
SMILESc1nc(NC23CC4CC(CC(C4)C2)C3)c2[nH]cnc2n1
InChIInChI=1S/C15H19N5/c1-9-2-11-3-10(1)5-15(4-9,6-11)20-14-12-13(17-7-16-12)18-8-19-14/h7-11H,1-6H2,(H2,16,17,18,19,20)
InChIKeyBQNQPHYLGUPBGU-UHFFFAOYSA-N
XLogP2.73
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-7H-purin-6-amine?
The IUPAC name of N-(1-adamantyl)-7H-purin-6-amine (CID 15868523) is N-(1-adamantyl)-7H-purin-6-amine.
What is the SMILES notation for N-(1-adamantyl)-7H-purin-6-amine?
The canonical SMILES for N-(1-adamantyl)-7H-purin-6-amine is c1nc(NC23CC4CC(CC(C4)C2)C3)c2[nH]cnc2n1.
What is the InChIKey of N-(1-adamantyl)-7H-purin-6-amine?
The InChIKey is BQNQPHYLGUPBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-9-2-11-3-10(1)5-15(4-9,6-11)20-14-12-13(17-7-16-12)18-8-19-14/h7-11H,1-6H2,(H2,16,17,18,19,20).
What are the key properties of N-(1-adamantyl)-7H-purin-6-amine?
N-(1-adamantyl)-7H-purin-6-amine has a molecular weight of 269.35 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-7H-purin-6-amine is sourced from PubChem (CID 15868523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).