2-N-[(5-methylthiophen-2-yl)methyl]pyrazine-2,6-diamine

C10H12N4S — CID 78988898

IUPAC2-N-[(5-methylthiophen-2-yl)methyl]pyrazine-2,6-diamine
SMILESCc1ccc(CNc2cncc(N)n2)s1
InChIInChI=1S/C10H12N4S/c1-7-2-3-8(15-7)4-13-10-6-12-5-9(11)14-10/h2-3,5-6H,4H2,1H3,(H3,11,13,14)
InChIKeyPJNDTZYRHFZQSZ-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.04
Rot. Bonds3

About 2-N-[(5-methylthiophen-2-yl)methyl]pyrazine-2,6-diamine

2-N-[(5-methylthiophen-2-yl)methyl]pyrazine-2,6-diamine (PubChem CID 78988898) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-N-[(5-methylthiophen-2-yl)methyl]pyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-[(5-methylthiophen-2-yl)methyl]pyrazine-2,6-diamine
PubChem CID78988898
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name2-N-[(5-methylthiophen-2-yl)methyl]pyrazine-2,6-diamine
SMILESCc1ccc(CNc2cncc(N)n2)s1
InChIInChI=1S/C10H12N4S/c1-7-2-3-8(15-7)4-13-10-6-12-5-9(11)14-10/h2-3,5-6H,4H2,1H3,(H3,11,13,14)
InChIKeyPJNDTZYRHFZQSZ-UHFFFAOYSA-N
XLogP2.04
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-[(5-methylthiophen-2-yl)methyl]pyrazine-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-methylthiophen-2-yl)methyl]pyrazine-2,6-diamine?
The IUPAC name of 2-N-[(5-methylthiophen-2-yl)methyl]pyrazine-2,6-diamine (CID 78988898) is 2-N-[(5-methylthiophen-2-yl)methyl]pyrazine-2,6-diamine.
What is the SMILES notation for 2-N-[(5-methylthiophen-2-yl)methyl]pyrazine-2,6-diamine?
The canonical SMILES for 2-N-[(5-methylthiophen-2-yl)methyl]pyrazine-2,6-diamine is Cc1ccc(CNc2cncc(N)n2)s1.
What is the InChIKey of 2-N-[(5-methylthiophen-2-yl)methyl]pyrazine-2,6-diamine?
The InChIKey is PJNDTZYRHFZQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-7-2-3-8(15-7)4-13-10-6-12-5-9(11)14-10/h2-3,5-6H,4H2,1H3,(H3,11,13,14).
What are the key properties of 2-N-[(5-methylthiophen-2-yl)methyl]pyrazine-2,6-diamine?
2-N-[(5-methylthiophen-2-yl)methyl]pyrazine-2,6-diamine has a molecular weight of 220.30 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5-methylthiophen-2-yl)methyl]pyrazine-2,6-diamine is sourced from PubChem (CID 78988898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).