methyl 2-(2-methylsulfanyl-6-oxopyrimidin-1-yl)acetate

C8H10N2O3S — CID 13457449

IUPACmethyl 2-(2-methylsulfanyl-6-oxopyrimidin-1-yl)acetate
SMILESCOC(=O)Cn1c(SC)nccc1=O
InChIInChI=1S/C8H10N2O3S/c1-13-7(12)5-10-6(11)3-4-9-8(10)14-2/h3-4H,5H2,1-2H3
InChIKeyYOENSLVLAYVDBQ-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.14
Rot. Bonds3

About methyl 2-(2-methylsulfanyl-6-oxopyrimidin-1-yl)acetate

methyl 2-(2-methylsulfanyl-6-oxopyrimidin-1-yl)acetate (PubChem CID 13457449) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is methyl 2-(2-methylsulfanyl-6-oxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methylsulfanyl-6-oxopyrimidin-1-yl)acetate
PubChem CID13457449
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Namemethyl 2-(2-methylsulfanyl-6-oxopyrimidin-1-yl)acetate
SMILESCOC(=O)Cn1c(SC)nccc1=O
InChIInChI=1S/C8H10N2O3S/c1-13-7(12)5-10-6(11)3-4-9-8(10)14-2/h3-4H,5H2,1-2H3
InChIKeyYOENSLVLAYVDBQ-UHFFFAOYSA-N
XLogP0.14
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methylsulfanyl-6-oxopyrimidin-1-yl)acetate?
The IUPAC name of methyl 2-(2-methylsulfanyl-6-oxopyrimidin-1-yl)acetate (CID 13457449) is methyl 2-(2-methylsulfanyl-6-oxopyrimidin-1-yl)acetate.
What is the SMILES notation for methyl 2-(2-methylsulfanyl-6-oxopyrimidin-1-yl)acetate?
The canonical SMILES for methyl 2-(2-methylsulfanyl-6-oxopyrimidin-1-yl)acetate is COC(=O)Cn1c(SC)nccc1=O.
What is the InChIKey of methyl 2-(2-methylsulfanyl-6-oxopyrimidin-1-yl)acetate?
The InChIKey is YOENSLVLAYVDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-13-7(12)5-10-6(11)3-4-9-8(10)14-2/h3-4H,5H2,1-2H3.
What are the key properties of methyl 2-(2-methylsulfanyl-6-oxopyrimidin-1-yl)acetate?
methyl 2-(2-methylsulfanyl-6-oxopyrimidin-1-yl)acetate has a molecular weight of 214.25 g/mol, XLogP of 0.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methylsulfanyl-6-oxopyrimidin-1-yl)acetate is sourced from PubChem (CID 13457449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).