2-butoxy-N-methyl-9-(oxan-2-yl)purin-6-amine

C15H23N5O2 — CID 129302030

IUPAC2-butoxy-N-methyl-9-(oxan-2-yl)purin-6-amine
SMILESCCCCOc1nc(NC)c2ncn(C3CCCCO3)c2n1
InChIInChI=1S/C15H23N5O2/c1-3-4-8-22-15-18-13(16-2)12-14(19-15)20(10-17-12)11-7-5-6-9-21-11/h10-11H,3-9H2,1-2H3,(H,16,18,19)
InChIKeyYWQXUSUEHHQGQK-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.75
Rot. Bonds6

About 2-butoxy-N-methyl-9-(oxan-2-yl)purin-6-amine

2-butoxy-N-methyl-9-(oxan-2-yl)purin-6-amine (PubChem CID 129302030) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-butoxy-N-methyl-9-(oxan-2-yl)purin-6-amine.

Molecular Properties

Compound Name2-butoxy-N-methyl-9-(oxan-2-yl)purin-6-amine
PubChem CID129302030
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name2-butoxy-N-methyl-9-(oxan-2-yl)purin-6-amine
SMILESCCCCOc1nc(NC)c2ncn(C3CCCCO3)c2n1
InChIInChI=1S/C15H23N5O2/c1-3-4-8-22-15-18-13(16-2)12-14(19-15)20(10-17-12)11-7-5-6-9-21-11/h10-11H,3-9H2,1-2H3,(H,16,18,19)
InChIKeyYWQXUSUEHHQGQK-UHFFFAOYSA-N
XLogP2.75
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
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-N-methyl-9-(oxan-2-yl)purin-6-amine?
The IUPAC name of 2-butoxy-N-methyl-9-(oxan-2-yl)purin-6-amine (CID 129302030) is 2-butoxy-N-methyl-9-(oxan-2-yl)purin-6-amine.
What is the SMILES notation for 2-butoxy-N-methyl-9-(oxan-2-yl)purin-6-amine?
The canonical SMILES for 2-butoxy-N-methyl-9-(oxan-2-yl)purin-6-amine is CCCCOc1nc(NC)c2ncn(C3CCCCO3)c2n1.
What is the InChIKey of 2-butoxy-N-methyl-9-(oxan-2-yl)purin-6-amine?
The InChIKey is YWQXUSUEHHQGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-3-4-8-22-15-18-13(16-2)12-14(19-15)20(10-17-12)11-7-5-6-9-21-11/h10-11H,3-9H2,1-2H3,(H,16,18,19).
What are the key properties of 2-butoxy-N-methyl-9-(oxan-2-yl)purin-6-amine?
2-butoxy-N-methyl-9-(oxan-2-yl)purin-6-amine has a molecular weight of 305.38 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-methyl-9-(oxan-2-yl)purin-6-amine is sourced from PubChem (CID 129302030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).