4-butoxy-7-methylpteridin-2-amine

C11H15N5O — CID 86173103

IUPAC4-butoxy-7-methylpteridin-2-amine
SMILESCCCCOc1nc(N)nc2nc(C)cnc12
InChIInChI=1S/C11H15N5O/c1-3-4-5-17-10-8-9(15-11(12)16-10)14-7(2)6-13-8/h6H,3-5H2,1-2H3,(H2,12,14,15,16)
InChIKeyDLKQEFYGOHERBU-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.49
Rot. Bonds4

About 4-butoxy-7-methylpteridin-2-amine

4-butoxy-7-methylpteridin-2-amine (PubChem CID 86173103) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-butoxy-7-methylpteridin-2-amine.

Molecular Properties

Compound Name4-butoxy-7-methylpteridin-2-amine
PubChem CID86173103
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name4-butoxy-7-methylpteridin-2-amine
SMILESCCCCOc1nc(N)nc2nc(C)cnc12
InChIInChI=1S/C11H15N5O/c1-3-4-5-17-10-8-9(15-11(12)16-10)14-7(2)6-13-8/h6H,3-5H2,1-2H3,(H2,12,14,15,16)
InChIKeyDLKQEFYGOHERBU-UHFFFAOYSA-N
XLogP1.49
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-butoxy-7-methylpteridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-7-methylpteridin-2-amine?
The IUPAC name of 4-butoxy-7-methylpteridin-2-amine (CID 86173103) is 4-butoxy-7-methylpteridin-2-amine.
What is the SMILES notation for 4-butoxy-7-methylpteridin-2-amine?
The canonical SMILES for 4-butoxy-7-methylpteridin-2-amine is CCCCOc1nc(N)nc2nc(C)cnc12.
What is the InChIKey of 4-butoxy-7-methylpteridin-2-amine?
The InChIKey is DLKQEFYGOHERBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-3-4-5-17-10-8-9(15-11(12)16-10)14-7(2)6-13-8/h6H,3-5H2,1-2H3,(H2,12,14,15,16).
What are the key properties of 4-butoxy-7-methylpteridin-2-amine?
4-butoxy-7-methylpteridin-2-amine has a molecular weight of 233.27 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-7-methylpteridin-2-amine is sourced from PubChem (CID 86173103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).