2-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylpyrimidine-4,6-diamine

C12H14N8S — CID 80882609

IUPAC2-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylpyrimidine-4,6-diamine
SMILESCCNc1cn2ccnc2c(Sc2nc(N)cc(N)n2)n1
InChIInChI=1S/C12H14N8S/c1-2-15-9-6-20-4-3-16-10(20)11(19-9)21-12-17-7(13)5-8(14)18-12/h3-6,15H,2H2,1H3,(H4,13,14,17,18)
InChIKeyKLBOGZPOVRGOAF-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.27
Rot. Bonds4

About 2-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylpyrimidine-4,6-diamine

2-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylpyrimidine-4,6-diamine (PubChem CID 80882609) has the molecular formula C12H14N8S and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylpyrimidine-4,6-diamine
PubChem CID80882609
Molecular FormulaC12H14N8S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name2-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylpyrimidine-4,6-diamine
SMILESCCNc1cn2ccnc2c(Sc2nc(N)cc(N)n2)n1
InChIInChI=1S/C12H14N8S/c1-2-15-9-6-20-4-3-16-10(20)11(19-9)21-12-17-7(13)5-8(14)18-12/h3-6,15H,2H2,1H3,(H4,13,14,17,18)
InChIKeyKLBOGZPOVRGOAF-UHFFFAOYSA-N
XLogP1.27
TPSA120.04 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

N-ethyl-8-pyrimidin-2-ylsulfanylimidazo[1,2-a]pyrazin-6-amine
CID 80886756
2-(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)sulfanylpyrimidine-4,6-diamine
CID 80923576
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
N-ethyl-8-propan-2-ylsulfanylimidazo[1,2-a]pyrazin-6-amine
CID 80885373
N-ethyl-8-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyrazin-6-amine
CID 80886588
8-(2,5-dimethylphenyl)sulfanyl-N-ethylimidazo[1,2-a]pyrazin-6-amine
CID 80872898
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
8-butylsulfanyl-N-ethylimidazo[1,2-a]pyrazin-6-amine
CID 80885141
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

Frequently Asked Questions

What is the IUPAC name of 2-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylpyrimidine-4,6-diamine?
The IUPAC name of 2-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylpyrimidine-4,6-diamine (CID 80882609) is 2-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 2-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylpyrimidine-4,6-diamine is CCNc1cn2ccnc2c(Sc2nc(N)cc(N)n2)n1.
What is the InChIKey of 2-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylpyrimidine-4,6-diamine?
The InChIKey is KLBOGZPOVRGOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N8S/c1-2-15-9-6-20-4-3-16-10(20)11(19-9)21-12-17-7(13)5-8(14)18-12/h3-6,15H,2H2,1H3,(H4,13,14,17,18).
What are the key properties of 2-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylpyrimidine-4,6-diamine?
2-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylpyrimidine-4,6-diamine has a molecular weight of 302.37 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80882609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).