6-N-methyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyrazine-2,6-diamine

C12H16N4S — CID 80800505

IUPAC6-N-methyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyrazine-2,6-diamine
SMILESCNc1cncc(NC(C)c2ccc(C)s2)n1
InChIInChI=1S/C12H16N4S/c1-8-4-5-10(17-8)9(2)15-12-7-14-6-11(13-3)16-12/h4-7,9H,1-3H3,(H2,13,15,16)
InChIKeyWIJOOYFBKPNBNM-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.06
Rot. Bonds4

About 6-N-methyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyrazine-2,6-diamine

6-N-methyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyrazine-2,6-diamine (PubChem CID 80800505) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 6-N-methyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyrazine-2,6-diamine.

Molecular Properties

Compound Name6-N-methyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyrazine-2,6-diamine
PubChem CID80800505
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name6-N-methyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyrazine-2,6-diamine
SMILESCNc1cncc(NC(C)c2ccc(C)s2)n1
InChIInChI=1S/C12H16N4S/c1-8-4-5-10(17-8)9(2)15-12-7-14-6-11(13-3)16-12/h4-7,9H,1-3H3,(H2,13,15,16)
InChIKeyWIJOOYFBKPNBNM-UHFFFAOYSA-N
XLogP3.06
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyrazine-2,6-diamine?
The IUPAC name of 6-N-methyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyrazine-2,6-diamine (CID 80800505) is 6-N-methyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyrazine-2,6-diamine.
What is the SMILES notation for 6-N-methyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyrazine-2,6-diamine?
The canonical SMILES for 6-N-methyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyrazine-2,6-diamine is CNc1cncc(NC(C)c2ccc(C)s2)n1.
What is the InChIKey of 6-N-methyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyrazine-2,6-diamine?
The InChIKey is WIJOOYFBKPNBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-8-4-5-10(17-8)9(2)15-12-7-14-6-11(13-3)16-12/h4-7,9H,1-3H3,(H2,13,15,16).
What are the key properties of 6-N-methyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyrazine-2,6-diamine?
6-N-methyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyrazine-2,6-diamine has a molecular weight of 248.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyrazine-2,6-diamine is sourced from PubChem (CID 80800505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).