ethyl 4-ethylsulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate

C10H14N2O3S — CID 7185962

IUPACethyl 4-ethylsulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(SCC)nc(=O)[nH]c1C
InChIInChI=1S/C10H14N2O3S/c1-4-15-9(13)7-6(3)11-10(14)12-8(7)16-5-2/h4-5H2,1-3H3,(H,11,12,14)
InChIKeyDFNAIJMFXZWIBU-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.37
Rot. Bonds4

About ethyl 4-ethylsulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate

ethyl 4-ethylsulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate (PubChem CID 7185962) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is ethyl 4-ethylsulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethylsulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate
PubChem CID7185962
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Nameethyl 4-ethylsulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(SCC)nc(=O)[nH]c1C
InChIInChI=1S/C10H14N2O3S/c1-4-15-9(13)7-6(3)11-10(14)12-8(7)16-5-2/h4-5H2,1-3H3,(H,11,12,14)
InChIKeyDFNAIJMFXZWIBU-UHFFFAOYSA-N
XLogP1.37
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethylsulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-ethylsulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate (CID 7185962) is ethyl 4-ethylsulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-ethylsulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-ethylsulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate is CCOC(=O)c1c(SCC)nc(=O)[nH]c1C.
What is the InChIKey of ethyl 4-ethylsulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate?
The InChIKey is DFNAIJMFXZWIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-4-15-9(13)7-6(3)11-10(14)12-8(7)16-5-2/h4-5H2,1-3H3,(H,11,12,14).
What are the key properties of ethyl 4-ethylsulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate?
ethyl 4-ethylsulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate has a molecular weight of 242.30 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethylsulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 7185962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).