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

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Related Compounds

2-N-[(5-bromothiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
CID 80837433
2-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
CID 114129233
6-N-methyl-2-N-(thiophen-2-ylmethyl)pyrazine-2,6-diamine
CID 80771921
6-N-[(5-ethylthiophen-2-yl)methyl]-2-N-propylpyridine-2,6-diamine
CID 106015208
6-(3,5-dimethylpyrazol-1-yl)-N-[(5-ethylthiophen-2-yl)methyl]pyrazin-2-amine
CID 133283221
N-[(5-ethylthiophen-2-yl)methyl]pyridin-4-amine
CID 103095282
5-N-[(5-ethylthiophen-2-yl)methyl]pyridine-3,5-diamine
CID 106015386
2-N-[(5-methylthiophen-2-yl)methyl]pyrazine-2,6-diamine
CID 78988898
N-[(5-ethylthiophen-2-yl)methyl]-5-iodopyrimidin-2-amine
CID 104840172
6-chloro-N-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-amine
CID 104877579
4-N-[(5-ethylthiophen-2-yl)methyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 106015228
6-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrimidin-4-amine
CID 106014088

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).