6-(3-methylbutoxy)-7H-purin-2-amine

C10H15N5O — CID 5329499

IUPAC6-(3-methylbutoxy)-7H-purin-2-amine
SMILESCC(C)CCOc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C10H15N5O/c1-6(2)3-4-16-9-7-8(13-5-12-7)14-10(11)15-9/h5-6H,3-4H2,1-2H3,(H3,11,12,13,14,15)
InChIKeyOYBZHCFDWLRUHE-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.36
Rot. Bonds4

About 6-(3-methylbutoxy)-7H-purin-2-amine

6-(3-methylbutoxy)-7H-purin-2-amine (PubChem CID 5329499) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 6-(3-methylbutoxy)-7H-purin-2-amine.

Molecular Properties

Compound Name6-(3-methylbutoxy)-7H-purin-2-amine
PubChem CID5329499
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name6-(3-methylbutoxy)-7H-purin-2-amine
SMILESCC(C)CCOc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C10H15N5O/c1-6(2)3-4-16-9-7-8(13-5-12-7)14-10(11)15-9/h5-6H,3-4H2,1-2H3,(H3,11,12,13,14,15)
InChIKeyOYBZHCFDWLRUHE-UHFFFAOYSA-N
XLogP1.36
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbutoxy)-7H-purin-2-amine?
The IUPAC name of 6-(3-methylbutoxy)-7H-purin-2-amine (CID 5329499) is 6-(3-methylbutoxy)-7H-purin-2-amine.
What is the SMILES notation for 6-(3-methylbutoxy)-7H-purin-2-amine?
The canonical SMILES for 6-(3-methylbutoxy)-7H-purin-2-amine is CC(C)CCOc1nc(N)nc2nc[nH]c12.
What is the InChIKey of 6-(3-methylbutoxy)-7H-purin-2-amine?
The InChIKey is OYBZHCFDWLRUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-6(2)3-4-16-9-7-8(13-5-12-7)14-10(11)15-9/h5-6H,3-4H2,1-2H3,(H3,11,12,13,14,15).
What are the key properties of 6-(3-methylbutoxy)-7H-purin-2-amine?
6-(3-methylbutoxy)-7H-purin-2-amine has a molecular weight of 221.26 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbutoxy)-7H-purin-2-amine is sourced from PubChem (CID 5329499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).