N-ethyl-8-(3-methylbutylsulfanyl)imidazo[1,2-a]pyrazin-6-amine

C13H20N4S — CID 107765896

IUPACN-ethyl-8-(3-methylbutylsulfanyl)imidazo[1,2-a]pyrazin-6-amine
SMILESCCNc1cn2ccnc2c(SCCC(C)C)n1
InChIInChI=1S/C13H20N4S/c1-4-14-11-9-17-7-6-15-12(17)13(16-11)18-8-5-10(2)3/h6-7,9-10,14H,4-5,8H2,1-3H3
InChIKeyADLWRUWBBVSUGY-UHFFFAOYSA-N
MW264.40 g/mol
LogP3.30
Rot. Bonds6

About N-ethyl-8-(3-methylbutylsulfanyl)imidazo[1,2-a]pyrazin-6-amine

N-ethyl-8-(3-methylbutylsulfanyl)imidazo[1,2-a]pyrazin-6-amine (PubChem CID 107765896) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is N-ethyl-8-(3-methylbutylsulfanyl)imidazo[1,2-a]pyrazin-6-amine.

Molecular Properties

Compound NameN-ethyl-8-(3-methylbutylsulfanyl)imidazo[1,2-a]pyrazin-6-amine
PubChem CID107765896
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC NameN-ethyl-8-(3-methylbutylsulfanyl)imidazo[1,2-a]pyrazin-6-amine
SMILESCCNc1cn2ccnc2c(SCCC(C)C)n1
InChIInChI=1S/C13H20N4S/c1-4-14-11-9-17-7-6-15-12(17)13(16-11)18-8-5-10(2)3/h6-7,9-10,14H,4-5,8H2,1-3H3
InChIKeyADLWRUWBBVSUGY-UHFFFAOYSA-N
XLogP3.30
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-8-(2-methylpropylsulfanyl)imidazo[1,2-a]pyrazin-6-amine
CID 80893173
8-butylsulfanyl-N-ethylimidazo[1,2-a]pyrazin-6-amine
CID 80885141
N-ethyl-8-propan-2-ylsulfanylimidazo[1,2-a]pyrazin-6-amine
CID 80885373
3-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylpropan-1-ol
CID 80891200
N-ethyl-8-(2-methoxyethylsulfanyl)imidazo[1,2-a]pyrazin-6-amine
CID 80884128
8-(3-methylbutylsulfanyl)imidazo[1,2-a]pyrazin-6-amine
CID 107766025
methyl 2-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylacetate
CID 80885709
N-ethyl-8-(4-methylpentoxy)imidazo[1,2-a]pyrazin-6-amine
CID 80862180
N-ethyl-8-pyrimidin-2-ylsulfanylimidazo[1,2-a]pyrazin-6-amine
CID 80886756
N-ethyl-8-(2-methylpropoxy)imidazo[1,2-a]pyrazin-6-amine
CID 80860201
N-ethyl-8-(1-methylimidazol-2-yl)sulfanylimidazo[1,2-a]pyrazin-6-amine
CID 80888111
N-ethyl-8-(4-methylpentan-2-yloxy)imidazo[1,2-a]pyrazin-6-amine
CID 80859899

Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-(3-methylbutylsulfanyl)imidazo[1,2-a]pyrazin-6-amine?
The IUPAC name of N-ethyl-8-(3-methylbutylsulfanyl)imidazo[1,2-a]pyrazin-6-amine (CID 107765896) is N-ethyl-8-(3-methylbutylsulfanyl)imidazo[1,2-a]pyrazin-6-amine.
What is the SMILES notation for N-ethyl-8-(3-methylbutylsulfanyl)imidazo[1,2-a]pyrazin-6-amine?
The canonical SMILES for N-ethyl-8-(3-methylbutylsulfanyl)imidazo[1,2-a]pyrazin-6-amine is CCNc1cn2ccnc2c(SCCC(C)C)n1.
What is the InChIKey of N-ethyl-8-(3-methylbutylsulfanyl)imidazo[1,2-a]pyrazin-6-amine?
The InChIKey is ADLWRUWBBVSUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-4-14-11-9-17-7-6-15-12(17)13(16-11)18-8-5-10(2)3/h6-7,9-10,14H,4-5,8H2,1-3H3.
What are the key properties of N-ethyl-8-(3-methylbutylsulfanyl)imidazo[1,2-a]pyrazin-6-amine?
N-ethyl-8-(3-methylbutylsulfanyl)imidazo[1,2-a]pyrazin-6-amine has a molecular weight of 264.40 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-(3-methylbutylsulfanyl)imidazo[1,2-a]pyrazin-6-amine is sourced from PubChem (CID 107765896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).