ethyl 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetate

C10H14N2O3S — CID 4081868

IUPACethyl 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetate
SMILESCCOC(=O)Cn1c(SC)nc(C)cc1=O
InChIInChI=1S/C10H14N2O3S/c1-4-15-9(14)6-12-8(13)5-7(2)11-10(12)16-3/h5H,4,6H2,1-3H3
InChIKeyDFGAPTLKFDXYKP-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.84
Rot. Bonds4

About ethyl 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetate

ethyl 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetate (PubChem CID 4081868) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is ethyl 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetate
PubChem CID4081868
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Nameethyl 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetate
SMILESCCOC(=O)Cn1c(SC)nc(C)cc1=O
InChIInChI=1S/C10H14N2O3S/c1-4-15-9(14)6-12-8(13)5-7(2)11-10(12)16-3/h5H,4,6H2,1-3H3
InChIKeyDFGAPTLKFDXYKP-UHFFFAOYSA-N
XLogP0.84
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 6-methyl-2-methylsulfanyl-4-oxo-3,4-dihydro-3-pyrimidinylacetate
CID 4049595
(3,4-Dihydro-6-methyl-2-methylthio-4-oxo-3-pyrimidinyl)acetic acid
CID 10059090
Ethyl (5-bromo-6-methyl-2-methylsulfanyl-4-oxo-3,4-dihydro-3-pyrimidinyl)acetate
CID 129793814
3-(2-Methoxyethyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one
CID 140183310
2-Methylthio-3-(methoxy-carbonyl)methylpyrimid-4-one
CID 13457449
Methyl (5-bromo-6-methyl-2-methylsulfanyl-4-oxo-3,4-dihydro-3-pyrimidinyl)acetate
CID 13491995
Ethyl 2-fluoro-2-(4-methyl-6-oxopyrimidin-1-yl)acetate
CID 81297477
Ethyl 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2-fluoroacetate
CID 81297776
Ethyl 2-fluoro-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetate
CID 81297791
(3-Methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 9505308
Ethyl 2-[2-(4-hydroxy-6-methylpyrimidin-2-ylthio)acetylamino]acetate
CID 135527349
Ethyl 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetate
CID 53814412

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetate?
The IUPAC name of ethyl 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetate (CID 4081868) is ethyl 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetate?
The canonical SMILES for ethyl 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetate is CCOC(=O)Cn1c(SC)nc(C)cc1=O.
What is the InChIKey of ethyl 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetate?
The InChIKey is DFGAPTLKFDXYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-4-15-9(14)6-12-8(13)5-7(2)11-10(12)16-3/h5H,4,6H2,1-3H3.
What are the key properties of ethyl 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetate?
ethyl 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetate has a molecular weight of 242.30 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetate is sourced from PubChem (CID 4081868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).