5-(4-methylpentoxymethyl)pyrazin-2-amine

C11H19N3O — CID 103058540

IUPAC5-(4-methylpentoxymethyl)pyrazin-2-amine
SMILESCC(C)CCCOCc1cnc(N)cn1
InChIInChI=1S/C11H19N3O/c1-9(2)4-3-5-15-8-10-6-14-11(12)7-13-10/h6-7,9H,3-5,8H2,1-2H3,(H2,12,14)
InChIKeyHEWQXDFSABOCTB-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.01
Rot. Bonds6

About 5-(4-methylpentoxymethyl)pyrazin-2-amine

5-(4-methylpentoxymethyl)pyrazin-2-amine (PubChem CID 103058540) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-(4-methylpentoxymethyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(4-methylpentoxymethyl)pyrazin-2-amine
PubChem CID103058540
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name5-(4-methylpentoxymethyl)pyrazin-2-amine
SMILESCC(C)CCCOCc1cnc(N)cn1
InChIInChI=1S/C11H19N3O/c1-9(2)4-3-5-15-8-10-6-14-11(12)7-13-10/h6-7,9H,3-5,8H2,1-2H3,(H2,12,14)
InChIKeyHEWQXDFSABOCTB-UHFFFAOYSA-N
XLogP2.01
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(4-methylpentoxymethyl)pyrazin-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 5-(4-methylpentoxymethyl)pyrazin-2-amine?
The IUPAC name of 5-(4-methylpentoxymethyl)pyrazin-2-amine (CID 103058540) is 5-(4-methylpentoxymethyl)pyrazin-2-amine.
What is the SMILES notation for 5-(4-methylpentoxymethyl)pyrazin-2-amine?
The canonical SMILES for 5-(4-methylpentoxymethyl)pyrazin-2-amine is CC(C)CCCOCc1cnc(N)cn1.
What is the InChIKey of 5-(4-methylpentoxymethyl)pyrazin-2-amine?
The InChIKey is HEWQXDFSABOCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(2)4-3-5-15-8-10-6-14-11(12)7-13-10/h6-7,9H,3-5,8H2,1-2H3,(H2,12,14).
What are the key properties of 5-(4-methylpentoxymethyl)pyrazin-2-amine?
5-(4-methylpentoxymethyl)pyrazin-2-amine has a molecular weight of 209.29 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpentoxymethyl)pyrazin-2-amine is sourced from PubChem (CID 103058540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).