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

C13H21N5O2S — CID 80837011

IUPAC6-N-ethyl-8-N-(2-methyl-2-methylsulfonylpropyl)imidazo[1,2-a]pyrazine-6,8-diamine
SMILESCCNc1cn2ccnc2c(NCC(C)(C)S(C)(=O)=O)n1
InChIInChI=1S/C13H21N5O2S/c1-5-14-10-8-18-7-6-15-12(18)11(17-10)16-9-13(2,3)21(4,19)20/h6-8,14H,5,9H2,1-4H3,(H,16,17)
InChIKeyFYFXDGJUHYUTJY-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.40
Rot. Bonds6

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

6-N-ethyl-8-N-(2-methyl-2-methylsulfonylpropyl)imidazo[1,2-a]pyrazine-6,8-diamine (PubChem CID 80837011) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 6-N-ethyl-8-N-(2-methyl-2-methylsulfonylpropyl)imidazo[1,2-a]pyrazine-6,8-diamine.

Molecular Properties

Compound Name6-N-ethyl-8-N-(2-methyl-2-methylsulfonylpropyl)imidazo[1,2-a]pyrazine-6,8-diamine
PubChem CID80837011
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC Name6-N-ethyl-8-N-(2-methyl-2-methylsulfonylpropyl)imidazo[1,2-a]pyrazine-6,8-diamine
SMILESCCNc1cn2ccnc2c(NCC(C)(C)S(C)(=O)=O)n1
InChIInChI=1S/C13H21N5O2S/c1-5-14-10-8-18-7-6-15-12(18)11(17-10)16-9-13(2,3)21(4,19)20/h6-8,14H,5,9H2,1-4H3,(H,16,17)
InChIKeyFYFXDGJUHYUTJY-UHFFFAOYSA-N
XLogP1.40
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-ethyl-8-N-(2-methylsulfonylethyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80791433
6-N-ethyl-8-N-(2-methoxy-2-methylpropyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 104767303
methyl 2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]acetate
CID 80777733
6-N-ethyl-8-N-hexylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80835650
8-N-(2,2-dimethylpropyl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80798027
2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbutan-1-ol
CID 80844271
N-(2,2-dimethylpropyl)-6-hydrazinylimidazo[1,2-a]pyrazin-8-amine
CID 80899650
2-methyl-1-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]butan-2-ol
CID 80842987
2,2-dimethyl-3-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propanamide
CID 106280633
6-N-ethyl-8-N-[(2-methylcyclopentyl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 107421148
8-N-(2,6-dimethylpiperidin-1-yl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine
CID 83033987
1-[[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]cyclopentan-1-ol
CID 80843105

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-8-N-(2-methyl-2-methylsulfonylpropyl)imidazo[1,2-a]pyrazine-6,8-diamine?
The IUPAC name of 6-N-ethyl-8-N-(2-methyl-2-methylsulfonylpropyl)imidazo[1,2-a]pyrazine-6,8-diamine (CID 80837011) is 6-N-ethyl-8-N-(2-methyl-2-methylsulfonylpropyl)imidazo[1,2-a]pyrazine-6,8-diamine.
What is the SMILES notation for 6-N-ethyl-8-N-(2-methyl-2-methylsulfonylpropyl)imidazo[1,2-a]pyrazine-6,8-diamine?
The canonical SMILES for 6-N-ethyl-8-N-(2-methyl-2-methylsulfonylpropyl)imidazo[1,2-a]pyrazine-6,8-diamine is CCNc1cn2ccnc2c(NCC(C)(C)S(C)(=O)=O)n1.
What is the InChIKey of 6-N-ethyl-8-N-(2-methyl-2-methylsulfonylpropyl)imidazo[1,2-a]pyrazine-6,8-diamine?
The InChIKey is FYFXDGJUHYUTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c1-5-14-10-8-18-7-6-15-12(18)11(17-10)16-9-13(2,3)21(4,19)20/h6-8,14H,5,9H2,1-4H3,(H,16,17).
What are the key properties of 6-N-ethyl-8-N-(2-methyl-2-methylsulfonylpropyl)imidazo[1,2-a]pyrazine-6,8-diamine?
6-N-ethyl-8-N-(2-methyl-2-methylsulfonylpropyl)imidazo[1,2-a]pyrazine-6,8-diamine has a molecular weight of 311.41 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-8-N-(2-methyl-2-methylsulfonylpropyl)imidazo[1,2-a]pyrazine-6,8-diamine is sourced from PubChem (CID 80837011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).