6-N-methyl-8-N-(4-methylsulfanylbutyl)imidazo[1,2-a]pyrazine-6,8-diamine

C12H19N5S — CID 113488442

IUPAC6-N-methyl-8-N-(4-methylsulfanylbutyl)imidazo[1,2-a]pyrazine-6,8-diamine
SMILESCNc1cn2ccnc2c(NCCCCSC)n1
InChIInChI=1S/C12H19N5S/c1-13-10-9-17-7-6-15-12(17)11(16-10)14-5-3-4-8-18-2/h6-7,9,13H,3-5,8H2,1-2H3,(H,14,16)
InChIKeyQICFGYQZTPSAKA-UHFFFAOYSA-N
MW265.39 g/mol
LogP2.33
Rot. Bonds7

About 6-N-methyl-8-N-(4-methylsulfanylbutyl)imidazo[1,2-a]pyrazine-6,8-diamine

6-N-methyl-8-N-(4-methylsulfanylbutyl)imidazo[1,2-a]pyrazine-6,8-diamine (PubChem CID 113488442) has the molecular formula C12H19N5S and a molecular weight of 265.39 g/mol. Its IUPAC name is 6-N-methyl-8-N-(4-methylsulfanylbutyl)imidazo[1,2-a]pyrazine-6,8-diamine.

Molecular Properties

Compound Name6-N-methyl-8-N-(4-methylsulfanylbutyl)imidazo[1,2-a]pyrazine-6,8-diamine
PubChem CID113488442
Molecular FormulaC12H19N5S
Molecular Weight265.39 g/mol
Exact Mass265.14
IUPAC Name6-N-methyl-8-N-(4-methylsulfanylbutyl)imidazo[1,2-a]pyrazine-6,8-diamine
SMILESCNc1cn2ccnc2c(NCCCCSC)n1
InChIInChI=1S/C12H19N5S/c1-13-10-9-17-7-6-15-12(17)11(16-10)14-5-3-4-8-18-2/h6-7,9,13H,3-5,8H2,1-2H3,(H,14,16)
InChIKeyQICFGYQZTPSAKA-UHFFFAOYSA-N
XLogP2.33
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]pentanamide
CID 106241711
6-N-methyl-8-N-(4-propan-2-yloxybutyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 106014703
6-N-methyl-8-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 106434075
2-[3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propoxy]ethanol
CID 106311573
8-N-(2,2-dimethylpropyl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80798027
4-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]butan-2-ol
CID 80841693
N-butyl-6-hydrazinylimidazo[1,2-a]pyrazin-8-amine
CID 80931834
6-N-ethyl-8-N-hexylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80835650
6-N-methyl-8-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 80852584
6-N-methyl-8-N-(2,3,3-trimethylbutyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 83147491
8-N-tert-butyl-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80768283
N-(5-methylsulfanylpentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 104925632

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-8-N-(4-methylsulfanylbutyl)imidazo[1,2-a]pyrazine-6,8-diamine?
The IUPAC name of 6-N-methyl-8-N-(4-methylsulfanylbutyl)imidazo[1,2-a]pyrazine-6,8-diamine (CID 113488442) is 6-N-methyl-8-N-(4-methylsulfanylbutyl)imidazo[1,2-a]pyrazine-6,8-diamine.
What is the SMILES notation for 6-N-methyl-8-N-(4-methylsulfanylbutyl)imidazo[1,2-a]pyrazine-6,8-diamine?
The canonical SMILES for 6-N-methyl-8-N-(4-methylsulfanylbutyl)imidazo[1,2-a]pyrazine-6,8-diamine is CNc1cn2ccnc2c(NCCCCSC)n1.
What is the InChIKey of 6-N-methyl-8-N-(4-methylsulfanylbutyl)imidazo[1,2-a]pyrazine-6,8-diamine?
The InChIKey is QICFGYQZTPSAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5S/c1-13-10-9-17-7-6-15-12(17)11(16-10)14-5-3-4-8-18-2/h6-7,9,13H,3-5,8H2,1-2H3,(H,14,16).
What are the key properties of 6-N-methyl-8-N-(4-methylsulfanylbutyl)imidazo[1,2-a]pyrazine-6,8-diamine?
6-N-methyl-8-N-(4-methylsulfanylbutyl)imidazo[1,2-a]pyrazine-6,8-diamine has a molecular weight of 265.39 g/mol, XLogP of 2.33, 7 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-(4-methylsulfanylbutyl)imidazo[1,2-a]pyrazine-6,8-diamine is sourced from PubChem (CID 113488442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).