3-[4-(dimethylamino)phenyl]-5-(furan-2-yl)pyrazin-2-amine

C16H16N4O — CID 86000913

IUPAC3-[4-(dimethylamino)phenyl]-5-(furan-2-yl)pyrazin-2-amine
SMILESCN(C)c1ccc(-c2nc(-c3ccco3)cnc2N)cc1
InChIInChI=1S/C16H16N4O/c1-20(2)12-7-5-11(6-8-12)15-16(17)18-10-13(19-15)14-4-3-9-21-14/h3-10H,1-2H3,(H2,17,18)
InChIKeyLFOHDJOPCOFJTE-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.05
Rot. Bonds3

About 3-[4-(dimethylamino)phenyl]-5-(furan-2-yl)pyrazin-2-amine

3-[4-(dimethylamino)phenyl]-5-(furan-2-yl)pyrazin-2-amine (PubChem CID 86000913) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-5-(furan-2-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-5-(furan-2-yl)pyrazin-2-amine
PubChem CID86000913
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name3-[4-(dimethylamino)phenyl]-5-(furan-2-yl)pyrazin-2-amine
SMILESCN(C)c1ccc(-c2nc(-c3ccco3)cnc2N)cc1
InChIInChI=1S/C16H16N4O/c1-20(2)12-7-5-11(6-8-12)15-16(17)18-10-13(19-15)14-4-3-9-21-14/h3-10H,1-2H3,(H2,17,18)
InChIKeyLFOHDJOPCOFJTE-UHFFFAOYSA-N
XLogP3.05
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-(dimethylamino)phenyl]-5-(furan-2-yl)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 3-[4-(dimethylamino)phenyl]-5-(furan-2-yl)pyrazin-2-amine?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-5-(furan-2-yl)pyrazin-2-amine (CID 86000913) is 3-[4-(dimethylamino)phenyl]-5-(furan-2-yl)pyrazin-2-amine.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-5-(furan-2-yl)pyrazin-2-amine?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-5-(furan-2-yl)pyrazin-2-amine is CN(C)c1ccc(-c2nc(-c3ccco3)cnc2N)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-5-(furan-2-yl)pyrazin-2-amine?
The InChIKey is LFOHDJOPCOFJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-20(2)12-7-5-11(6-8-12)15-16(17)18-10-13(19-15)14-4-3-9-21-14/h3-10H,1-2H3,(H2,17,18).
What are the key properties of 3-[4-(dimethylamino)phenyl]-5-(furan-2-yl)pyrazin-2-amine?
3-[4-(dimethylamino)phenyl]-5-(furan-2-yl)pyrazin-2-amine has a molecular weight of 280.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-5-(furan-2-yl)pyrazin-2-amine is sourced from PubChem (CID 86000913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).