2-[6-(methoxymethyl)pyrimidin-4-yl]sulfanylacetic acid

C8H10N2O3S — CID 94077056

IUPAC2-[6-(methoxymethyl)pyrimidin-4-yl]sulfanylacetic acid
SMILESCOCc1cc(SCC(=O)O)ncn1
InChIInChI=1S/C8H10N2O3S/c1-13-3-6-2-7(10-5-9-6)14-4-8(11)12/h2,5H,3-4H2,1H3,(H,11,12)
InChIKeyJIEQZNJXXXGGOY-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.80
Rot. Bonds5

About 2-[6-(methoxymethyl)pyrimidin-4-yl]sulfanylacetic acid

2-[6-(methoxymethyl)pyrimidin-4-yl]sulfanylacetic acid (PubChem CID 94077056) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 2-[6-(methoxymethyl)pyrimidin-4-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[6-(methoxymethyl)pyrimidin-4-yl]sulfanylacetic acid
PubChem CID94077056
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name2-[6-(methoxymethyl)pyrimidin-4-yl]sulfanylacetic acid
SMILESCOCc1cc(SCC(=O)O)ncn1
InChIInChI=1S/C8H10N2O3S/c1-13-3-6-2-7(10-5-9-6)14-4-8(11)12/h2,5H,3-4H2,1H3,(H,11,12)
InChIKeyJIEQZNJXXXGGOY-UHFFFAOYSA-N
XLogP0.80
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-ethylpyrimidin-4-yl)sulfanylpropanoic acid
CID 61234584
2-[3-(methoxymethyl)-1-pyrimidin-4-ylpyrazol-5-yl]sulfanylacetic acid
CID 79822404
2-[[6-(methoxymethyl)pyrimidin-4-yl]amino]propanoic acid
CID 126848603
methyl 2-(6-fluoropyrimidin-4-yl)sulfanylacetate
CID 115417331
2-[[4-amino-5-(methoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 28915037
2-(6-methoxypyridazin-3-yl)sulfanylacetic acid
CID 6418483
2-[1-(2,5-dimethylphenyl)-3-(methoxymethyl)pyrazol-5-yl]sulfanylacetic acid
CID 62409141
2-[1-(2-chlorophenyl)-3-(methoxymethyl)pyrazol-5-yl]sulfanylacetic acid
CID 62410089
1-[6-(methoxymethyl)pyrimidin-4-yl]azetidin-3-ol
CID 126848634
2-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)sulfanylacetic acid
CID 66285605
2-(2-methyl-6-propylpyrimidin-4-yl)sulfanylacetic acid
CID 94077073
2-[1-(4-cyanophenyl)-3-(methoxymethyl)pyrazol-5-yl]sulfanylacetic acid
CID 62409717

Frequently Asked Questions

What is the IUPAC name of 2-[6-(methoxymethyl)pyrimidin-4-yl]sulfanylacetic acid?
The IUPAC name of 2-[6-(methoxymethyl)pyrimidin-4-yl]sulfanylacetic acid (CID 94077056) is 2-[6-(methoxymethyl)pyrimidin-4-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[6-(methoxymethyl)pyrimidin-4-yl]sulfanylacetic acid?
The canonical SMILES for 2-[6-(methoxymethyl)pyrimidin-4-yl]sulfanylacetic acid is COCc1cc(SCC(=O)O)ncn1.
What is the InChIKey of 2-[6-(methoxymethyl)pyrimidin-4-yl]sulfanylacetic acid?
The InChIKey is JIEQZNJXXXGGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-13-3-6-2-7(10-5-9-6)14-4-8(11)12/h2,5H,3-4H2,1H3,(H,11,12).
What are the key properties of 2-[6-(methoxymethyl)pyrimidin-4-yl]sulfanylacetic acid?
2-[6-(methoxymethyl)pyrimidin-4-yl]sulfanylacetic acid has a molecular weight of 214.25 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(methoxymethyl)pyrimidin-4-yl]sulfanylacetic acid is sourced from PubChem (CID 94077056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).