3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide

C10H15N3OS — CID 60670957

IUPAC3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
SMILESCc1nc(SCCC(N)=O)nc(C)c1C
InChIInChI=1S/C10H15N3OS/c1-6-7(2)12-10(13-8(6)3)15-5-4-9(11)14/h4-5H2,1-3H3,(H2,11,14)
InChIKeyZCVADEOLOLMMOE-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.37
Rot. Bonds4

About 3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide

3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide (PubChem CID 60670957) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound Name3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
PubChem CID60670957
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
SMILESCc1nc(SCCC(N)=O)nc(C)c1C
InChIInChI=1S/C10H15N3OS/c1-6-7(2)12-10(13-8(6)3)15-5-4-9(11)14/h4-5H2,1-3H3,(H2,11,14)
InChIKeyZCVADEOLOLMMOE-UHFFFAOYSA-N
XLogP1.37
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide?
The IUPAC name of 3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide (CID 60670957) is 3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide.
What is the SMILES notation for 3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide?
The canonical SMILES for 3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide is Cc1nc(SCCC(N)=O)nc(C)c1C.
What is the InChIKey of 3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide?
The InChIKey is ZCVADEOLOLMMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-6-7(2)12-10(13-8(6)3)15-5-4-9(11)14/h4-5H2,1-3H3,(H2,11,14).
What are the key properties of 3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide?
3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide has a molecular weight of 225.32 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 60670957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).