ethyl 2-(2-phenylpyrimidin-4-yl)sulfanylacetate

C14H14N2O2S — CID 141154570

IUPACethyl 2-(2-phenylpyrimidin-4-yl)sulfanylacetate
SMILESCCOC(=O)CSc1ccnc(-c2ccccc2)n1
InChIInChI=1S/C14H14N2O2S/c1-2-18-13(17)10-19-12-8-9-15-14(16-12)11-6-4-3-5-7-11/h3-9H,2,10H2,1H3
InChIKeyUZVKZSXSFHSAKO-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.80
Rot. Bonds5

About ethyl 2-(2-phenylpyrimidin-4-yl)sulfanylacetate

ethyl 2-(2-phenylpyrimidin-4-yl)sulfanylacetate (PubChem CID 141154570) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is ethyl 2-(2-phenylpyrimidin-4-yl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-(2-phenylpyrimidin-4-yl)sulfanylacetate
PubChem CID141154570
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Nameethyl 2-(2-phenylpyrimidin-4-yl)sulfanylacetate
SMILESCCOC(=O)CSc1ccnc(-c2ccccc2)n1
InChIInChI=1S/C14H14N2O2S/c1-2-18-13(17)10-19-12-8-9-15-14(16-12)11-6-4-3-5-7-11/h3-9H,2,10H2,1H3
InChIKeyUZVKZSXSFHSAKO-UHFFFAOYSA-N
XLogP2.80
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-pyridin-2-ylsulfanylacetate
CID 6464675
ethyl 2-(2-hydrazinylpyrimidin-4-yl)sulfanylacetate
CID 80922675
2-phenyl-4-propylsulfanylpyrimidine
CID 141154626
ethyl 2-[(5-phenyl-1H-pyrazol-3-yl)sulfanyl]acetate
CID 118479880
ethyl 2-[ethyl-(2-phenylpyrimidin-4-yl)amino]acetate
CID 71845196
ethyl 2-[(4-chloro-2-pyridinyl)sulfanyl]acetate
CID 71304250
ethyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]acetate
CID 2963012
ethyl 2-[[6-(methylamino)-2-pyridinyl]sulfanyl]acetate
CID 80885994
2-(2-ethoxy-2-oxoethyl)sulfanylquinoline-4-carboxylate
CID 5067222
ethyl 2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 1151992
ethyl 2-[[4-(2,6-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 135341195
ethyl 3-(2-aminopyrimidin-4-yl)sulfanylpropanoate
CID 166660845

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-phenylpyrimidin-4-yl)sulfanylacetate?
The IUPAC name of ethyl 2-(2-phenylpyrimidin-4-yl)sulfanylacetate (CID 141154570) is ethyl 2-(2-phenylpyrimidin-4-yl)sulfanylacetate.
What is the SMILES notation for ethyl 2-(2-phenylpyrimidin-4-yl)sulfanylacetate?
The canonical SMILES for ethyl 2-(2-phenylpyrimidin-4-yl)sulfanylacetate is CCOC(=O)CSc1ccnc(-c2ccccc2)n1.
What is the InChIKey of ethyl 2-(2-phenylpyrimidin-4-yl)sulfanylacetate?
The InChIKey is UZVKZSXSFHSAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-2-18-13(17)10-19-12-8-9-15-14(16-12)11-6-4-3-5-7-11/h3-9H,2,10H2,1H3.
What are the key properties of ethyl 2-(2-phenylpyrimidin-4-yl)sulfanylacetate?
ethyl 2-(2-phenylpyrimidin-4-yl)sulfanylacetate has a molecular weight of 274.35 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-phenylpyrimidin-4-yl)sulfanylacetate is sourced from PubChem (CID 141154570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).