2-butoxy-8-methoxy-9-(oxan-2-yl)purine

C15H22N4O3 — CID 141220651

IUPAC2-butoxy-8-methoxy-9-(oxan-2-yl)purine
SMILESCCCCOc1ncc2nc(OC)n(C3CCCCO3)c2n1
InChIInChI=1S/C15H22N4O3/c1-3-4-8-22-14-16-10-11-13(18-14)19(15(17-11)20-2)12-7-5-6-9-21-12/h10,12H,3-9H2,1-2H3
InChIKeyRNOWDOXXJYSZCG-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.71
Rot. Bonds6

About 2-butoxy-8-methoxy-9-(oxan-2-yl)purine

2-butoxy-8-methoxy-9-(oxan-2-yl)purine (PubChem CID 141220651) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-butoxy-8-methoxy-9-(oxan-2-yl)purine.

Molecular Properties

Compound Name2-butoxy-8-methoxy-9-(oxan-2-yl)purine
PubChem CID141220651
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name2-butoxy-8-methoxy-9-(oxan-2-yl)purine
SMILESCCCCOc1ncc2nc(OC)n(C3CCCCO3)c2n1
InChIInChI=1S/C15H22N4O3/c1-3-4-8-22-14-16-10-11-13(18-14)19(15(17-11)20-2)12-7-5-6-9-21-12/h10,12H,3-9H2,1-2H3
InChIKeyRNOWDOXXJYSZCG-UHFFFAOYSA-N
XLogP2.71
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butoxy-8-methoxy-9-(oxan-2-yl)purine?
The IUPAC name of 2-butoxy-8-methoxy-9-(oxan-2-yl)purine (CID 141220651) is 2-butoxy-8-methoxy-9-(oxan-2-yl)purine.
What is the SMILES notation for 2-butoxy-8-methoxy-9-(oxan-2-yl)purine?
The canonical SMILES for 2-butoxy-8-methoxy-9-(oxan-2-yl)purine is CCCCOc1ncc2nc(OC)n(C3CCCCO3)c2n1.
What is the InChIKey of 2-butoxy-8-methoxy-9-(oxan-2-yl)purine?
The InChIKey is RNOWDOXXJYSZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-3-4-8-22-14-16-10-11-13(18-14)19(15(17-11)20-2)12-7-5-6-9-21-12/h10,12H,3-9H2,1-2H3.
What are the key properties of 2-butoxy-8-methoxy-9-(oxan-2-yl)purine?
2-butoxy-8-methoxy-9-(oxan-2-yl)purine has a molecular weight of 306.37 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-8-methoxy-9-(oxan-2-yl)purine is sourced from PubChem (CID 141220651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).