methyl 2-(6-fluoropyrimidin-4-yl)sulfanylacetate

C7H7FN2O2S — CID 115417331

IUPACmethyl 2-(6-fluoropyrimidin-4-yl)sulfanylacetate
SMILESCOC(=O)CSc1cc(F)ncn1
InChIInChI=1S/C7H7FN2O2S/c1-12-7(11)3-13-6-2-5(8)9-4-10-6/h2,4H,3H2,1H3
InChIKeyGMNLTQLMIQMNKS-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.88
Rot. Bonds3

About methyl 2-(6-fluoropyrimidin-4-yl)sulfanylacetate

methyl 2-(6-fluoropyrimidin-4-yl)sulfanylacetate (PubChem CID 115417331) has the molecular formula C7H7FN2O2S and a molecular weight of 202.21 g/mol. Its IUPAC name is methyl 2-(6-fluoropyrimidin-4-yl)sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-(6-fluoropyrimidin-4-yl)sulfanylacetate
PubChem CID115417331
Molecular FormulaC7H7FN2O2S
Molecular Weight202.21 g/mol
Exact Mass202.02
IUPAC Namemethyl 2-(6-fluoropyrimidin-4-yl)sulfanylacetate
SMILESCOC(=O)CSc1cc(F)ncn1
InChIInChI=1S/C7H7FN2O2S/c1-12-7(11)3-13-6-2-5(8)9-4-10-6/h2,4H,3H2,1H3
InChIKeyGMNLTQLMIQMNKS-UHFFFAOYSA-N
XLogP0.88
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2,6-diaminopyrimidin-4-yl)sulfanylacetate
CID 80885528
methyl 2-(6-amino-2-methylpyrimidin-4-yl)sulfanylacetate
CID 80886623
methyl 2-[6-(2-amino-5-cyanophenyl)pyrimidin-4-yl]sulfanylacetate
CID 142656854
methyl 2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetate
CID 42103957
methyl 2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetate
CID 7199813
tert-butyl 2-[6-(ethylamino)pyrimidin-4-yl]sulfanylacetate
CID 116688327
methyl 2-(6-amino-2-ethylpyrimidin-4-yl)sulfanylacetate
CID 80937418
5-(2-methoxy-2-oxoethyl)sulfanylpyrazine-2-carboxylic acid
CID 107372609
methyl 2-[[3-(4-fluorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetate
CID 860819
4-(2-methoxy-2-oxoethyl)sulfanylquinazoline-7-carboxylic acid
CID 63264184
methyl 2-(6,8-dichloroquinazolin-4-yl)sulfanylacetate
CID 132587371
methyl 2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetate
CID 2808870

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-fluoropyrimidin-4-yl)sulfanylacetate?
The IUPAC name of methyl 2-(6-fluoropyrimidin-4-yl)sulfanylacetate (CID 115417331) is methyl 2-(6-fluoropyrimidin-4-yl)sulfanylacetate.
What is the SMILES notation for methyl 2-(6-fluoropyrimidin-4-yl)sulfanylacetate?
The canonical SMILES for methyl 2-(6-fluoropyrimidin-4-yl)sulfanylacetate is COC(=O)CSc1cc(F)ncn1.
What is the InChIKey of methyl 2-(6-fluoropyrimidin-4-yl)sulfanylacetate?
The InChIKey is GMNLTQLMIQMNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O2S/c1-12-7(11)3-13-6-2-5(8)9-4-10-6/h2,4H,3H2,1H3.
What are the key properties of methyl 2-(6-fluoropyrimidin-4-yl)sulfanylacetate?
methyl 2-(6-fluoropyrimidin-4-yl)sulfanylacetate has a molecular weight of 202.21 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-fluoropyrimidin-4-yl)sulfanylacetate is sourced from PubChem (CID 115417331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).