2-methyl-2-(propylamino)-4-pyrazin-2-ylsulfanylbutanamide

C12H20N4OS — CID 55247746

IUPAC2-methyl-2-(propylamino)-4-pyrazin-2-ylsulfanylbutanamide
SMILESCCCNC(C)(CCSc1cnccn1)C(N)=O
InChIInChI=1S/C12H20N4OS/c1-3-5-16-12(2,11(13)17)4-8-18-10-9-14-6-7-15-10/h6-7,9,16H,3-5,8H2,1-2H3,(H2,13,17)
InChIKeyLNMIIUVFMBPXDK-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.20
Rot. Bonds8

About 2-methyl-2-(propylamino)-4-pyrazin-2-ylsulfanylbutanamide

2-methyl-2-(propylamino)-4-pyrazin-2-ylsulfanylbutanamide (PubChem CID 55247746) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 2-methyl-2-(propylamino)-4-pyrazin-2-ylsulfanylbutanamide.

Molecular Properties

Compound Name2-methyl-2-(propylamino)-4-pyrazin-2-ylsulfanylbutanamide
PubChem CID55247746
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name2-methyl-2-(propylamino)-4-pyrazin-2-ylsulfanylbutanamide
SMILESCCCNC(C)(CCSc1cnccn1)C(N)=O
InChIInChI=1S/C12H20N4OS/c1-3-5-16-12(2,11(13)17)4-8-18-10-9-14-6-7-15-10/h6-7,9,16H,3-5,8H2,1-2H3,(H2,13,17)
InChIKeyLNMIIUVFMBPXDK-UHFFFAOYSA-N
XLogP1.20
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propylamino)-4-pyrazin-2-ylsulfanylbutanamide?
The IUPAC name of 2-methyl-2-(propylamino)-4-pyrazin-2-ylsulfanylbutanamide (CID 55247746) is 2-methyl-2-(propylamino)-4-pyrazin-2-ylsulfanylbutanamide.
What is the SMILES notation for 2-methyl-2-(propylamino)-4-pyrazin-2-ylsulfanylbutanamide?
The canonical SMILES for 2-methyl-2-(propylamino)-4-pyrazin-2-ylsulfanylbutanamide is CCCNC(C)(CCSc1cnccn1)C(N)=O.
What is the InChIKey of 2-methyl-2-(propylamino)-4-pyrazin-2-ylsulfanylbutanamide?
The InChIKey is LNMIIUVFMBPXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-3-5-16-12(2,11(13)17)4-8-18-10-9-14-6-7-15-10/h6-7,9,16H,3-5,8H2,1-2H3,(H2,13,17).
What are the key properties of 2-methyl-2-(propylamino)-4-pyrazin-2-ylsulfanylbutanamide?
2-methyl-2-(propylamino)-4-pyrazin-2-ylsulfanylbutanamide has a molecular weight of 268.39 g/mol, XLogP of 1.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propylamino)-4-pyrazin-2-ylsulfanylbutanamide is sourced from PubChem (CID 55247746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).