8-N-(1-methylsulfonylpropan-2-yl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine

C13H21N5O2S — CID 80826533

IUPAC8-N-(1-methylsulfonylpropan-2-yl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine
SMILESCCCNc1cn2ccnc2c(NC(C)CS(C)(=O)=O)n1
InChIInChI=1S/C13H21N5O2S/c1-4-5-14-11-8-18-7-6-15-13(18)12(17-11)16-10(2)9-21(3,19)20/h6-8,10,14H,4-5,9H2,1-3H3,(H,16,17)
InChIKeyQNNKHPLYMSVRQF-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.40
Rot. Bonds7

About 8-N-(1-methylsulfonylpropan-2-yl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine

8-N-(1-methylsulfonylpropan-2-yl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine (PubChem CID 80826533) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 8-N-(1-methylsulfonylpropan-2-yl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine.

Molecular Properties

Compound Name8-N-(1-methylsulfonylpropan-2-yl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine
PubChem CID80826533
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC Name8-N-(1-methylsulfonylpropan-2-yl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine
SMILESCCCNc1cn2ccnc2c(NC(C)CS(C)(=O)=O)n1
InChIInChI=1S/C13H21N5O2S/c1-4-5-14-11-8-18-7-6-15-13(18)12(17-11)16-10(2)9-21(3,19)20/h6-8,10,14H,4-5,9H2,1-3H3,(H,16,17)
InChIKeyQNNKHPLYMSVRQF-UHFFFAOYSA-N
XLogP1.40
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
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

8-N-(2-methylpentan-3-yl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80802760
8-N-(2-propan-2-yloxyethyl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine
CID 104767136
6-N-ethyl-8-N-(2-methylsulfonylethyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80791433
N-[2-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]acetamide
CID 80788012
N-ethyl-2-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]acetamide
CID 80787809
2-methyl-1-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]butan-2-ol
CID 80842987
8-N-(4-methylphenyl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80751543
2,2-dimethyl-3-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propanamide
CID 106280633
2-methyl-1-methylsulfanyl-3-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propan-2-ol
CID 106248951
methyl 2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbutanoate
CID 80791121
6-N,8-N,8-N-tripropylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80764672
2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylpropanamide
CID 80803281

Frequently Asked Questions

What is the IUPAC name of 8-N-(1-methylsulfonylpropan-2-yl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine?
The IUPAC name of 8-N-(1-methylsulfonylpropan-2-yl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine (CID 80826533) is 8-N-(1-methylsulfonylpropan-2-yl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine.
What is the SMILES notation for 8-N-(1-methylsulfonylpropan-2-yl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine?
The canonical SMILES for 8-N-(1-methylsulfonylpropan-2-yl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine is CCCNc1cn2ccnc2c(NC(C)CS(C)(=O)=O)n1.
What is the InChIKey of 8-N-(1-methylsulfonylpropan-2-yl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine?
The InChIKey is QNNKHPLYMSVRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c1-4-5-14-11-8-18-7-6-15-13(18)12(17-11)16-10(2)9-21(3,19)20/h6-8,10,14H,4-5,9H2,1-3H3,(H,16,17).
What are the key properties of 8-N-(1-methylsulfonylpropan-2-yl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine?
8-N-(1-methylsulfonylpropan-2-yl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine has a molecular weight of 311.41 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(1-methylsulfonylpropan-2-yl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine is sourced from PubChem (CID 80826533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).