3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylpropanamide

C11H17N3OS — CID 653464

IUPAC3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylpropanamide
SMILESCc1cc(C)nc(SCCC(=O)N(C)C)n1
InChIInChI=1S/C11H17N3OS/c1-8-7-9(2)13-11(12-8)16-6-5-10(15)14(3)4/h7H,5-6H2,1-4H3
InChIKeyQOHMBVSRFLFYJG-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.66
Rot. Bonds4

About 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylpropanamide

3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylpropanamide (PubChem CID 653464) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylpropanamide
PubChem CID653464
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylpropanamide
SMILESCc1cc(C)nc(SCCC(=O)N(C)C)n1
InChIInChI=1S/C11H17N3OS/c1-8-7-9(2)13-11(12-8)16-6-5-10(15)14(3)4/h7H,5-6H2,1-4H3
InChIKeyQOHMBVSRFLFYJG-UHFFFAOYSA-N
XLogP1.66
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylpropanamide?
The IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylpropanamide (CID 653464) is 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylpropanamide?
The canonical SMILES for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylpropanamide is Cc1cc(C)nc(SCCC(=O)N(C)C)n1.
What is the InChIKey of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylpropanamide?
The InChIKey is QOHMBVSRFLFYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8-7-9(2)13-11(12-8)16-6-5-10(15)14(3)4/h7H,5-6H2,1-4H3.
What are the key properties of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylpropanamide?
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylpropanamide has a molecular weight of 239.34 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylpropanamide is sourced from PubChem (CID 653464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).