3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-(methylamino)propanamide

C10H16N4OS — CID 62306355

IUPAC3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-(methylamino)propanamide
SMILESCNC(CSc1nc(C)cc(C)n1)C(N)=O
InChIInChI=1S/C10H16N4OS/c1-6-4-7(2)14-10(13-6)16-5-8(12-3)9(11)15/h4,8,12H,5H2,1-3H3,(H2,11,15)
InChIKeyMEMFRBXPZTZRBZ-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.26
Rot. Bonds5

About 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-(methylamino)propanamide

3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-(methylamino)propanamide (PubChem CID 62306355) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-(methylamino)propanamide.

Molecular Properties

Compound Name3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-(methylamino)propanamide
PubChem CID62306355
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-(methylamino)propanamide
SMILESCNC(CSc1nc(C)cc(C)n1)C(N)=O
InChIInChI=1S/C10H16N4OS/c1-6-4-7(2)14-10(13-6)16-5-8(12-3)9(11)15/h4,8,12H,5H2,1-3H3,(H2,11,15)
InChIKeyMEMFRBXPZTZRBZ-UHFFFAOYSA-N
XLogP0.26
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-(methylamino)propanamide?
The IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-(methylamino)propanamide (CID 62306355) is 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-(methylamino)propanamide.
What is the SMILES notation for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-(methylamino)propanamide?
The canonical SMILES for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-(methylamino)propanamide is CNC(CSc1nc(C)cc(C)n1)C(N)=O.
What is the InChIKey of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-(methylamino)propanamide?
The InChIKey is MEMFRBXPZTZRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-6-4-7(2)14-10(13-6)16-5-8(12-3)9(11)15/h4,8,12H,5H2,1-3H3,(H2,11,15).
What are the key properties of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-(methylamino)propanamide?
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-(methylamino)propanamide has a molecular weight of 240.33 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-(methylamino)propanamide is sourced from PubChem (CID 62306355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).