2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylbutanamide

C12H20N4OS — CID 63381210

IUPAC2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylbutanamide
SMILESCC(C)NC(C)(CCSc1cnccn1)C(N)=O
InChIInChI=1S/C12H20N4OS/c1-9(2)16-12(3,11(13)17)4-7-18-10-8-14-5-6-15-10/h5-6,8-9,16H,4,7H2,1-3H3,(H2,13,17)
InChIKeyWJVUMOVYJDLQAY-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.20
Rot. Bonds7

About 2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylbutanamide

2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylbutanamide (PubChem CID 63381210) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylbutanamide.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylbutanamide
PubChem CID63381210
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylbutanamide
SMILESCC(C)NC(C)(CCSc1cnccn1)C(N)=O
InChIInChI=1S/C12H20N4OS/c1-9(2)16-12(3,11(13)17)4-7-18-10-8-14-5-6-15-10/h5-6,8-9,16H,4,7H2,1-3H3,(H2,13,17)
InChIKeyWJVUMOVYJDLQAY-UHFFFAOYSA-N
XLogP1.20
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
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-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylbutanamide?
The IUPAC name of 2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylbutanamide (CID 63381210) is 2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylbutanamide.
What is the SMILES notation for 2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylbutanamide?
The canonical SMILES for 2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylbutanamide is CC(C)NC(C)(CCSc1cnccn1)C(N)=O.
What is the InChIKey of 2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylbutanamide?
The InChIKey is WJVUMOVYJDLQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-9(2)16-12(3,11(13)17)4-7-18-10-8-14-5-6-15-10/h5-6,8-9,16H,4,7H2,1-3H3,(H2,13,17).
What are the key properties of 2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylbutanamide?
2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylbutanamide has a molecular weight of 268.39 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylbutanamide is sourced from PubChem (CID 63381210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).