methyl (2S)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanoate

C10H14N2O2S — CID 51934014

IUPACmethyl (2S)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanoate
SMILESCOC(=O)[C@H](C)Sc1cc(C)nc(C)n1
InChIInChI=1S/C10H14N2O2S/c1-6-5-9(12-8(3)11-6)15-7(2)10(13)14-4/h5,7H,1-4H3/t7-/m0/s1
InChIKeyFWTUYBJELZEXJM-ZETCQYMHSA-N
MW226.30 g/mol
LogP1.75
Rot. Bonds3

About methyl (2S)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanoate

methyl (2S)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanoate (PubChem CID 51934014) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is methyl (2S)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanoate
PubChem CID51934014
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Namemethyl (2S)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanoate
SMILESCOC(=O)[C@H](C)Sc1cc(C)nc(C)n1
InChIInChI=1S/C10H14N2O2S/c1-6-5-9(12-8(3)11-6)15-7(2)10(13)14-4/h5,7H,1-4H3/t7-/m0/s1
InChIKeyFWTUYBJELZEXJM-ZETCQYMHSA-N
XLogP1.75
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-propylpropanamide
CID 46402563
methyl 2-[2,6-di(propan-2-yl)pyrimidin-4-yl]sulfanylpropanoate
CID 133408669
(2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(4-ethoxyphenyl)propanamide
CID 42353231
N-(2,6-difluorophenyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanamide
CID 46435717
N-(2-chlorophenyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanamide
CID 23611424
methyl 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylpropanoate
CID 42796681
(2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 42353218
N-tert-butyl-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide
CID 17417079
2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanenitrile
CID 130747152
methyl 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanoate
CID 18775686
2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-2-methylpropanoic acid
CID 81229065
methyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate
CID 60711654

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanoate?
The IUPAC name of methyl (2S)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanoate (CID 51934014) is methyl (2S)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanoate.
What is the SMILES notation for methyl (2S)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanoate?
The canonical SMILES for methyl (2S)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanoate is COC(=O)[C@H](C)Sc1cc(C)nc(C)n1.
What is the InChIKey of methyl (2S)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanoate?
The InChIKey is FWTUYBJELZEXJM-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-6-5-9(12-8(3)11-6)15-7(2)10(13)14-4/h5,7H,1-4H3/t7-/m0/s1.
What are the key properties of methyl (2S)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanoate?
methyl (2S)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanoate has a molecular weight of 226.30 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanoate is sourced from PubChem (CID 51934014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).