6-N-methyl-8-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine

C12H13N5S — CID 80772084

IUPAC6-N-methyl-8-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine
SMILESCNc1cn2ccnc2c(NCc2cccs2)n1
InChIInChI=1S/C12H13N5S/c1-13-10-8-17-5-4-14-12(17)11(16-10)15-7-9-3-2-6-18-9/h2-6,8,13H,7H2,1H3,(H,15,16)
InChIKeyLAEQOVAIQSYGFN-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.44
Rot. Bonds4

About 6-N-methyl-8-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine

6-N-methyl-8-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine (PubChem CID 80772084) has the molecular formula C12H13N5S and a molecular weight of 259.34 g/mol. Its IUPAC name is 6-N-methyl-8-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine.

Molecular Properties

Compound Name6-N-methyl-8-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine
PubChem CID80772084
Molecular FormulaC12H13N5S
Molecular Weight259.34 g/mol
Exact Mass259.09
IUPAC Name6-N-methyl-8-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine
SMILESCNc1cn2ccnc2c(NCc2cccs2)n1
InChIInChI=1S/C12H13N5S/c1-13-10-8-17-5-4-14-12(17)11(16-10)15-7-9-3-2-6-18-9/h2-6,8,13H,7H2,1H3,(H,15,16)
InChIKeyLAEQOVAIQSYGFN-UHFFFAOYSA-N
XLogP2.44
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-hydrazinyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
CID 80943622
N-methyl-8-(thiophen-2-ylmethoxy)imidazo[1,2-a]pyrazin-6-amine
CID 80872591
6-N-methyl-8-N-[(2-methylpyrazol-3-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 80829727
8-N-[(4-ethylphenyl)methyl]-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
CID 106900929
6-N-methyl-8-N-[(6-methyl-2-pyridinyl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 80822263
8-N-(2,2-dimethylpropyl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80798027
8-N-tert-butyl-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80768283
6-N-methyl-8-N-(2-methylbutyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80832137
8-N-(cyclobutylmethyl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80784676
4-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]butan-2-ol
CID 80841693
6-N-methyl-8-N-(4-methylsulfanylbutyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 113488442
8-(2,2-dimethylhydrazinyl)-N-methylimidazo[1,2-a]pyrazin-6-amine
CID 83024847

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-8-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine?
The IUPAC name of 6-N-methyl-8-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine (CID 80772084) is 6-N-methyl-8-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine.
What is the SMILES notation for 6-N-methyl-8-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine?
The canonical SMILES for 6-N-methyl-8-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine is CNc1cn2ccnc2c(NCc2cccs2)n1.
What is the InChIKey of 6-N-methyl-8-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine?
The InChIKey is LAEQOVAIQSYGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S/c1-13-10-8-17-5-4-14-12(17)11(16-10)15-7-9-3-2-6-18-9/h2-6,8,13H,7H2,1H3,(H,15,16).
What are the key properties of 6-N-methyl-8-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine?
6-N-methyl-8-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine has a molecular weight of 259.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-8-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine is sourced from PubChem (CID 80772084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).