2-N-[(5-ethylthiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine

C12H16N4S — CID 106015202

IUPAC2-N-[(5-ethylthiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
SMILESCCc1ccc(CNc2cncc(NC)n2)s1
InChIInChI=1S/C12H16N4S/c1-3-9-4-5-10(17-9)6-15-12-8-14-7-11(13-2)16-12/h4-5,7-8H,3,6H2,1-2H3,(H2,13,15,16)
InChIKeyPMFZKAXZXBIZPJ-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.75
Rot. Bonds5

About 2-N-[(5-ethylthiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine

2-N-[(5-ethylthiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine (PubChem CID 106015202) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-N-[(5-ethylthiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-[(5-ethylthiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
PubChem CID106015202
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name2-N-[(5-ethylthiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
SMILESCCc1ccc(CNc2cncc(NC)n2)s1
InChIInChI=1S/C12H16N4S/c1-3-9-4-5-10(17-9)6-15-12-8-14-7-11(13-2)16-12/h4-5,7-8H,3,6H2,1-2H3,(H2,13,15,16)
InChIKeyPMFZKAXZXBIZPJ-UHFFFAOYSA-N
XLogP2.75
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-[(5-ethylthiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine 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 2-N-[(5-ethylthiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine?
The IUPAC name of 2-N-[(5-ethylthiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine (CID 106015202) is 2-N-[(5-ethylthiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-[(5-ethylthiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-[(5-ethylthiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine is CCc1ccc(CNc2cncc(NC)n2)s1.
What is the InChIKey of 2-N-[(5-ethylthiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine?
The InChIKey is PMFZKAXZXBIZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-3-9-4-5-10(17-9)6-15-12-8-14-7-11(13-2)16-12/h4-5,7-8H,3,6H2,1-2H3,(H2,13,15,16).
What are the key properties of 2-N-[(5-ethylthiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine?
2-N-[(5-ethylthiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine has a molecular weight of 248.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5-ethylthiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine is sourced from PubChem (CID 106015202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).