2-[(6-ethylsulfanylpyrazin-2-yl)-methylamino]-N-propan-2-ylacetamide

C12H20N4OS — CID 71996695

IUPAC2-[(6-ethylsulfanylpyrazin-2-yl)-methylamino]-N-propan-2-ylacetamide
SMILESCCSc1cncc(N(C)CC(=O)NC(C)C)n1
InChIInChI=1S/C12H20N4OS/c1-5-18-12-7-13-6-10(15-12)16(4)8-11(17)14-9(2)3/h6-7,9H,5,8H2,1-4H3,(H,14,17)
InChIKeyIFXDIBFCXHZEJS-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.55
Rot. Bonds6

About 2-[(6-ethylsulfanylpyrazin-2-yl)-methylamino]-N-propan-2-ylacetamide

2-[(6-ethylsulfanylpyrazin-2-yl)-methylamino]-N-propan-2-ylacetamide (PubChem CID 71996695) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 2-[(6-ethylsulfanylpyrazin-2-yl)-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(6-ethylsulfanylpyrazin-2-yl)-methylamino]-N-propan-2-ylacetamide
PubChem CID71996695
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name2-[(6-ethylsulfanylpyrazin-2-yl)-methylamino]-N-propan-2-ylacetamide
SMILESCCSc1cncc(N(C)CC(=O)NC(C)C)n1
InChIInChI=1S/C12H20N4OS/c1-5-18-12-7-13-6-10(15-12)16(4)8-11(17)14-9(2)3/h6-7,9H,5,8H2,1-4H3,(H,14,17)
InChIKeyIFXDIBFCXHZEJS-UHFFFAOYSA-N
XLogP1.55
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl(pyrazin-2-yl)amino]-N-propan-2-ylacetamide
CID 39877236
2-[(5-bromo-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide
CID 55206707
2-[(5,6-diamino-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide
CID 79826827
2-[methyl-[5-(methylaminomethyl)-2-pyridinyl]amino]-N-propan-2-ylacetamide
CID 80630228
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 137009371
2-[(3-chloro-4-pyridinyl)-methylamino]-N-propan-2-ylacetamide
CID 71977838
2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80960605
2-[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80938390
2-[methyl-[[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-propan-2-ylpyrimidin-2-yl]methyl]amino]-N-propan-2-ylacetamide
CID 71849240
methyl 6-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylpyrazine-2-carboxylate
CID 114233017
2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide
CID 115773860
2-[(5-amino-6-ethoxy-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide
CID 55005158

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethylsulfanylpyrazin-2-yl)-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(6-ethylsulfanylpyrazin-2-yl)-methylamino]-N-propan-2-ylacetamide (CID 71996695) is 2-[(6-ethylsulfanylpyrazin-2-yl)-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(6-ethylsulfanylpyrazin-2-yl)-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(6-ethylsulfanylpyrazin-2-yl)-methylamino]-N-propan-2-ylacetamide is CCSc1cncc(N(C)CC(=O)NC(C)C)n1.
What is the InChIKey of 2-[(6-ethylsulfanylpyrazin-2-yl)-methylamino]-N-propan-2-ylacetamide?
The InChIKey is IFXDIBFCXHZEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-5-18-12-7-13-6-10(15-12)16(4)8-11(17)14-9(2)3/h6-7,9H,5,8H2,1-4H3,(H,14,17).
What are the key properties of 2-[(6-ethylsulfanylpyrazin-2-yl)-methylamino]-N-propan-2-ylacetamide?
2-[(6-ethylsulfanylpyrazin-2-yl)-methylamino]-N-propan-2-ylacetamide has a molecular weight of 268.39 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethylsulfanylpyrazin-2-yl)-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 71996695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).