2-(methylamino)-4-(4-methylpyrimidin-2-yl)sulfanylbutanamide

C10H16N4OS — CID 63034714

IUPAC2-(methylamino)-4-(4-methylpyrimidin-2-yl)sulfanylbutanamide
SMILESCNC(CCSc1nccc(C)n1)C(N)=O
InChIInChI=1S/C10H16N4OS/c1-7-3-5-13-10(14-7)16-6-4-8(12-2)9(11)15/h3,5,8,12H,4,6H2,1-2H3,(H2,11,15)
InChIKeyHOTBCGLUXCDOKB-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.34
Rot. Bonds6

About 2-(methylamino)-4-(4-methylpyrimidin-2-yl)sulfanylbutanamide

2-(methylamino)-4-(4-methylpyrimidin-2-yl)sulfanylbutanamide (PubChem CID 63034714) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(methylamino)-4-(4-methylpyrimidin-2-yl)sulfanylbutanamide.

Molecular Properties

Compound Name2-(methylamino)-4-(4-methylpyrimidin-2-yl)sulfanylbutanamide
PubChem CID63034714
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name2-(methylamino)-4-(4-methylpyrimidin-2-yl)sulfanylbutanamide
SMILESCNC(CCSc1nccc(C)n1)C(N)=O
InChIInChI=1S/C10H16N4OS/c1-7-3-5-13-10(14-7)16-6-4-8(12-2)9(11)15/h3,5,8,12H,4,6H2,1-2H3,(H2,11,15)
InChIKeyHOTBCGLUXCDOKB-UHFFFAOYSA-N
XLogP0.34
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-(4-methylpyrimidin-2-yl)sulfanylbutanamide?
The IUPAC name of 2-(methylamino)-4-(4-methylpyrimidin-2-yl)sulfanylbutanamide (CID 63034714) is 2-(methylamino)-4-(4-methylpyrimidin-2-yl)sulfanylbutanamide.
What is the SMILES notation for 2-(methylamino)-4-(4-methylpyrimidin-2-yl)sulfanylbutanamide?
The canonical SMILES for 2-(methylamino)-4-(4-methylpyrimidin-2-yl)sulfanylbutanamide is CNC(CCSc1nccc(C)n1)C(N)=O.
What is the InChIKey of 2-(methylamino)-4-(4-methylpyrimidin-2-yl)sulfanylbutanamide?
The InChIKey is HOTBCGLUXCDOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-7-3-5-13-10(14-7)16-6-4-8(12-2)9(11)15/h3,5,8,12H,4,6H2,1-2H3,(H2,11,15).
What are the key properties of 2-(methylamino)-4-(4-methylpyrimidin-2-yl)sulfanylbutanamide?
2-(methylamino)-4-(4-methylpyrimidin-2-yl)sulfanylbutanamide has a molecular weight of 240.33 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-(4-methylpyrimidin-2-yl)sulfanylbutanamide is sourced from PubChem (CID 63034714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).