ethyl 2-(2-ethylsulfanyl-6-oxo-1H-pyrimidin-4-yl)acetate

C10H14N2O3S — CID 136736996

IUPACethyl 2-(2-ethylsulfanyl-6-oxo-1H-pyrimidin-4-yl)acetate
SMILESCCOC(=O)Cc1cc(=O)[nH]c(SCC)n1
InChIInChI=1S/C10H14N2O3S/c1-3-15-9(14)6-7-5-8(13)12-10(11-7)16-4-2/h5H,3-4,6H2,1-2H3,(H,11,12,13)
InChIKeyVIAHNUXHHQRKHB-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.99
Rot. Bonds5

About ethyl 2-(2-ethylsulfanyl-6-oxo-1H-pyrimidin-4-yl)acetate

ethyl 2-(2-ethylsulfanyl-6-oxo-1H-pyrimidin-4-yl)acetate (PubChem CID 136736996) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is ethyl 2-(2-ethylsulfanyl-6-oxo-1H-pyrimidin-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-ethylsulfanyl-6-oxo-1H-pyrimidin-4-yl)acetate
PubChem CID136736996
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Nameethyl 2-(2-ethylsulfanyl-6-oxo-1H-pyrimidin-4-yl)acetate
SMILESCCOC(=O)Cc1cc(=O)[nH]c(SCC)n1
InChIInChI=1S/C10H14N2O3S/c1-3-15-9(14)6-7-5-8(13)12-10(11-7)16-4-2/h5H,3-4,6H2,1-2H3,(H,11,12,13)
InChIKeyVIAHNUXHHQRKHB-UHFFFAOYSA-N
XLogP0.99
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethylsulfanyl-4-(methylsulfanylmethyl)-1H-pyrimidin-6-one
CID 137014941
ethyl 2-[[6-oxo-4-(phenylsulfanylmethyl)-1H-pyrimidin-2-yl]sulfanyl]acetate
CID 136686998
ethyl 2-[[4-(ethylsulfanylmethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoate
CID 136686636
ethyl 4-[2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]piperazine-1-carboxylate
CID 135561508
ethyl 2-[2-[[2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-4-methyl-1,3-thiazol-5-yl]acetate
CID 135452298
propyl 2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate
CID 136684492
methyl 2-[6-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-1H-pyrimidin-4-yl]acetate
CID 135596808
ethyl 4-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-3-oxobutanoate
CID 135450758
methyl 2-[2-[(2R)-2-cyanopropyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]acetate
CID 135780666
ethyl 4-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate
CID 136684553
2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide
CID 135561603
ethyl 3-[[4-(2-methoxy-2-oxoethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate
CID 135780549

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethylsulfanyl-6-oxo-1H-pyrimidin-4-yl)acetate?
The IUPAC name of ethyl 2-(2-ethylsulfanyl-6-oxo-1H-pyrimidin-4-yl)acetate (CID 136736996) is ethyl 2-(2-ethylsulfanyl-6-oxo-1H-pyrimidin-4-yl)acetate.
What is the SMILES notation for ethyl 2-(2-ethylsulfanyl-6-oxo-1H-pyrimidin-4-yl)acetate?
The canonical SMILES for ethyl 2-(2-ethylsulfanyl-6-oxo-1H-pyrimidin-4-yl)acetate is CCOC(=O)Cc1cc(=O)[nH]c(SCC)n1.
What is the InChIKey of ethyl 2-(2-ethylsulfanyl-6-oxo-1H-pyrimidin-4-yl)acetate?
The InChIKey is VIAHNUXHHQRKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-3-15-9(14)6-7-5-8(13)12-10(11-7)16-4-2/h5H,3-4,6H2,1-2H3,(H,11,12,13).
What are the key properties of ethyl 2-(2-ethylsulfanyl-6-oxo-1H-pyrimidin-4-yl)acetate?
ethyl 2-(2-ethylsulfanyl-6-oxo-1H-pyrimidin-4-yl)acetate has a molecular weight of 242.30 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethylsulfanyl-6-oxo-1H-pyrimidin-4-yl)acetate is sourced from PubChem (CID 136736996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).