8-butylsulfanyl-N-ethylimidazo[1,2-a]pyrazin-6-amine

C12H18N4S — CID 80885141

IUPAC8-butylsulfanyl-N-ethylimidazo[1,2-a]pyrazin-6-amine
SMILESCCCCSc1nc(NCC)cn2ccnc12
InChIInChI=1S/C12H18N4S/c1-3-5-8-17-12-11-14-6-7-16(11)9-10(15-12)13-4-2/h6-7,9,13H,3-5,8H2,1-2H3
InChIKeyNWCGZPFVGUWLPY-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.05
Rot. Bonds6

About 8-butylsulfanyl-N-ethylimidazo[1,2-a]pyrazin-6-amine

8-butylsulfanyl-N-ethylimidazo[1,2-a]pyrazin-6-amine (PubChem CID 80885141) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 8-butylsulfanyl-N-ethylimidazo[1,2-a]pyrazin-6-amine.

Molecular Properties

Compound Name8-butylsulfanyl-N-ethylimidazo[1,2-a]pyrazin-6-amine
PubChem CID80885141
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name8-butylsulfanyl-N-ethylimidazo[1,2-a]pyrazin-6-amine
SMILESCCCCSc1nc(NCC)cn2ccnc12
InChIInChI=1S/C12H18N4S/c1-3-5-8-17-12-11-14-6-7-16(11)9-10(15-12)13-4-2/h6-7,9,13H,3-5,8H2,1-2H3
InChIKeyNWCGZPFVGUWLPY-UHFFFAOYSA-N
XLogP3.05
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylpropan-1-ol
CID 80891200
N-ethyl-8-(3-methylbutylsulfanyl)imidazo[1,2-a]pyrazin-6-amine
CID 107765896
N-ethyl-8-(2-methoxyethylsulfanyl)imidazo[1,2-a]pyrazin-6-amine
CID 80884128
N-ethyl-8-(2-methylpropylsulfanyl)imidazo[1,2-a]pyrazin-6-amine
CID 80893173
N-ethyl-8-propan-2-ylsulfanylimidazo[1,2-a]pyrazin-6-amine
CID 80885373
methyl 2-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylacetate
CID 80885709
N-ethyl-8-pyrimidin-2-ylsulfanylimidazo[1,2-a]pyrazin-6-amine
CID 80886756
N-ethyl-8-(1-methylimidazol-2-yl)sulfanylimidazo[1,2-a]pyrazin-6-amine
CID 80888111
8-tert-butylsulfanyl-N-propylimidazo[1,2-a]pyrazin-6-amine
CID 80887812
2-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylpyrimidine-4,6-diamine
CID 80882609
6-N-ethyl-8-N-hexylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80835650
N-ethyl-8-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyrazin-6-amine
CID 80886588

Frequently Asked Questions

What is the IUPAC name of 8-butylsulfanyl-N-ethylimidazo[1,2-a]pyrazin-6-amine?
The IUPAC name of 8-butylsulfanyl-N-ethylimidazo[1,2-a]pyrazin-6-amine (CID 80885141) is 8-butylsulfanyl-N-ethylimidazo[1,2-a]pyrazin-6-amine.
What is the SMILES notation for 8-butylsulfanyl-N-ethylimidazo[1,2-a]pyrazin-6-amine?
The canonical SMILES for 8-butylsulfanyl-N-ethylimidazo[1,2-a]pyrazin-6-amine is CCCCSc1nc(NCC)cn2ccnc12.
What is the InChIKey of 8-butylsulfanyl-N-ethylimidazo[1,2-a]pyrazin-6-amine?
The InChIKey is NWCGZPFVGUWLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-3-5-8-17-12-11-14-6-7-16(11)9-10(15-12)13-4-2/h6-7,9,13H,3-5,8H2,1-2H3.
What are the key properties of 8-butylsulfanyl-N-ethylimidazo[1,2-a]pyrazin-6-amine?
8-butylsulfanyl-N-ethylimidazo[1,2-a]pyrazin-6-amine has a molecular weight of 250.37 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butylsulfanyl-N-ethylimidazo[1,2-a]pyrazin-6-amine is sourced from PubChem (CID 80885141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).