8-(2,5-dimethylphenyl)sulfanyl-N-ethylimidazo[1,2-a]pyrazin-6-amine

C16H18N4S — CID 80872898

IUPAC8-(2,5-dimethylphenyl)sulfanyl-N-ethylimidazo[1,2-a]pyrazin-6-amine
SMILESCCNc1cn2ccnc2c(Sc2cc(C)ccc2C)n1
InChIInChI=1S/C16H18N4S/c1-4-17-14-10-20-8-7-18-15(20)16(19-14)21-13-9-11(2)5-6-12(13)3/h5-10,17H,4H2,1-3H3
InChIKeyCDDUUUASGLCLMH-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.93
Rot. Bonds4

About 8-(2,5-dimethylphenyl)sulfanyl-N-ethylimidazo[1,2-a]pyrazin-6-amine

8-(2,5-dimethylphenyl)sulfanyl-N-ethylimidazo[1,2-a]pyrazin-6-amine (PubChem CID 80872898) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is 8-(2,5-dimethylphenyl)sulfanyl-N-ethylimidazo[1,2-a]pyrazin-6-amine.

Molecular Properties

Compound Name8-(2,5-dimethylphenyl)sulfanyl-N-ethylimidazo[1,2-a]pyrazin-6-amine
PubChem CID80872898
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC Name8-(2,5-dimethylphenyl)sulfanyl-N-ethylimidazo[1,2-a]pyrazin-6-amine
SMILESCCNc1cn2ccnc2c(Sc2cc(C)ccc2C)n1
InChIInChI=1S/C16H18N4S/c1-4-17-14-10-20-8-7-18-15(20)16(19-14)21-13-9-11(2)5-6-12(13)3/h5-10,17H,4H2,1-3H3
InChIKeyCDDUUUASGLCLMH-UHFFFAOYSA-N
XLogP3.93
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-8-pyrimidin-2-ylsulfanylimidazo[1,2-a]pyrazin-6-amine
CID 80886756
N-ethyl-8-propan-2-ylsulfanylimidazo[1,2-a]pyrazin-6-amine
CID 80885373
2-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylpyrimidine-4,6-diamine
CID 80882609
N-ethyl-8-(1-methylimidazol-2-yl)sulfanylimidazo[1,2-a]pyrazin-6-amine
CID 80888111
N-ethyl-8-pyrimidin-4-ylsulfanylimidazo[1,2-a]pyrazin-6-amine
CID 80889297
8-(2,4-dimethylphenoxy)-N-ethylimidazo[1,2-a]pyrazin-6-amine
CID 80867122
N-ethyl-8-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]imidazo[1,2-a]pyrazin-6-amine
CID 106928525
N-ethyl-8-(2-methylpropylsulfanyl)imidazo[1,2-a]pyrazin-6-amine
CID 80893173
N-ethyl-8-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyrazin-6-amine
CID 80886588
N-ethyl-8-(3-methylbutylsulfanyl)imidazo[1,2-a]pyrazin-6-amine
CID 107765896
6-N-ethyl-8-N-(2-fluoro-5-methylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80747790
8-butylsulfanyl-N-ethylimidazo[1,2-a]pyrazin-6-amine
CID 80885141

Frequently Asked Questions

What is the IUPAC name of 8-(2,5-dimethylphenyl)sulfanyl-N-ethylimidazo[1,2-a]pyrazin-6-amine?
The IUPAC name of 8-(2,5-dimethylphenyl)sulfanyl-N-ethylimidazo[1,2-a]pyrazin-6-amine (CID 80872898) is 8-(2,5-dimethylphenyl)sulfanyl-N-ethylimidazo[1,2-a]pyrazin-6-amine.
What is the SMILES notation for 8-(2,5-dimethylphenyl)sulfanyl-N-ethylimidazo[1,2-a]pyrazin-6-amine?
The canonical SMILES for 8-(2,5-dimethylphenyl)sulfanyl-N-ethylimidazo[1,2-a]pyrazin-6-amine is CCNc1cn2ccnc2c(Sc2cc(C)ccc2C)n1.
What is the InChIKey of 8-(2,5-dimethylphenyl)sulfanyl-N-ethylimidazo[1,2-a]pyrazin-6-amine?
The InChIKey is CDDUUUASGLCLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-4-17-14-10-20-8-7-18-15(20)16(19-14)21-13-9-11(2)5-6-12(13)3/h5-10,17H,4H2,1-3H3.
What are the key properties of 8-(2,5-dimethylphenyl)sulfanyl-N-ethylimidazo[1,2-a]pyrazin-6-amine?
8-(2,5-dimethylphenyl)sulfanyl-N-ethylimidazo[1,2-a]pyrazin-6-amine has a molecular weight of 298.42 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-dimethylphenyl)sulfanyl-N-ethylimidazo[1,2-a]pyrazin-6-amine is sourced from PubChem (CID 80872898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).