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

C16H19N3OS — CID 851325

IUPAC3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)propanamide
SMILESCc1cc(C)nc(SCCC(=O)Nc2ccccc2C)n1
InChIInChI=1S/C16H19N3OS/c1-11-6-4-5-7-14(11)19-15(20)8-9-21-16-17-12(2)10-13(3)18-16/h4-7,10H,8-9H2,1-3H3,(H,19,20)
InChIKeyJQAQJDPVIMPIHX-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.52
Rot. Bonds5

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

3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)propanamide (PubChem CID 851325) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)propanamide
PubChem CID851325
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)propanamide
SMILESCc1cc(C)nc(SCCC(=O)Nc2ccccc2C)n1
InChIInChI=1S/C16H19N3OS/c1-11-6-4-5-7-14(11)19-15(20)8-9-21-16-17-12(2)10-13(3)18-16/h4-7,10H,8-9H2,1-3H3,(H,19,20)
InChIKeyJQAQJDPVIMPIHX-UHFFFAOYSA-N
XLogP3.52
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
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-(2-methylphenyl)propanamide?
The IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)propanamide (CID 851325) is 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)propanamide?
The canonical SMILES for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)propanamide is Cc1cc(C)nc(SCCC(=O)Nc2ccccc2C)n1.
What is the InChIKey of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)propanamide?
The InChIKey is JQAQJDPVIMPIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-11-6-4-5-7-14(11)19-15(20)8-9-21-16-17-12(2)10-13(3)18-16/h4-7,10H,8-9H2,1-3H3,(H,19,20).
What are the key properties of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)propanamide?
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)propanamide has a molecular weight of 301.42 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 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-(2-methylphenyl)propanamide is sourced from PubChem (CID 851325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).