3-(4,6-dimethylpyrimidin-2-yl)sulfanyloxolan-2-one

C10H12N2O2S — CID 2947255

IUPAC3-(4,6-dimethylpyrimidin-2-yl)sulfanyloxolan-2-one
SMILESCc1cc(C)nc(SC2CCOC2=O)n1
InChIInChI=1S/C10H12N2O2S/c1-6-5-7(2)12-10(11-6)15-8-3-4-14-9(8)13/h5,8H,3-4H2,1-2H3
InChIKeyUGHZAWAXRRYDPM-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.50
Rot. Bonds2

About 3-(4,6-dimethylpyrimidin-2-yl)sulfanyloxolan-2-one

3-(4,6-dimethylpyrimidin-2-yl)sulfanyloxolan-2-one (PubChem CID 2947255) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-(4,6-dimethylpyrimidin-2-yl)sulfanyloxolan-2-one.

Molecular Properties

Compound Name3-(4,6-dimethylpyrimidin-2-yl)sulfanyloxolan-2-one
PubChem CID2947255
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name3-(4,6-dimethylpyrimidin-2-yl)sulfanyloxolan-2-one
SMILESCc1cc(C)nc(SC2CCOC2=O)n1
InChIInChI=1S/C10H12N2O2S/c1-6-5-7(2)12-10(11-6)15-8-3-4-14-9(8)13/h5,8H,3-4H2,1-2H3
InChIKeyUGHZAWAXRRYDPM-UHFFFAOYSA-N
XLogP1.50
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-((4,6-Dimethyl-2-pyrimidinyl)thio)acetic acid
CID 41567
Methyl 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetate
CID 809277
(4,6-Dimethylpyrimidin-2-ylsulfanyl)acetic acid ethyl ester
CID 2179971
Acetic acid, ((4-methyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)-
CID 610353
2-(4,6-Dimethylpyrimidin-2-yl)sulfanylethanol
CID 587836
2-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-butyric acid
CID 2917118
2-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-propionic acid
CID 2772428
Cambridge id 5349671
CID 2842911
ST065896
CID 845529
Cambridge id 5344035
CID 2842528
2-[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanal
CID 18966143
Ethyl 2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfonylacetate
CID 176900964

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyloxolan-2-one?
The IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyloxolan-2-one (CID 2947255) is 3-(4,6-dimethylpyrimidin-2-yl)sulfanyloxolan-2-one.
What is the SMILES notation for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyloxolan-2-one?
The canonical SMILES for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyloxolan-2-one is Cc1cc(C)nc(SC2CCOC2=O)n1.
What is the InChIKey of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyloxolan-2-one?
The InChIKey is UGHZAWAXRRYDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-6-5-7(2)12-10(11-6)15-8-3-4-14-9(8)13/h5,8H,3-4H2,1-2H3.
What are the key properties of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyloxolan-2-one?
3-(4,6-dimethylpyrimidin-2-yl)sulfanyloxolan-2-one has a molecular weight of 224.28 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyloxolan-2-one is sourced from PubChem (CID 2947255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).