ethyl 4-[(2-methoxyphenyl)methoxy]-2-methylsulfinylpyrimidine-5-carboxylate

C16H18N2O5S — CID 143501790

IUPACethyl 4-[(2-methoxyphenyl)methoxy]-2-methylsulfinylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(S(C)=O)nc1OCc1ccccc1OC
InChIInChI=1S/C16H18N2O5S/c1-4-22-15(19)12-9-17-16(24(3)20)18-14(12)23-10-11-7-5-6-8-13(11)21-2/h5-9H,4,10H2,1-3H3
InChIKeyBQISHTOJGAKFGB-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.98
Rot. Bonds7

About ethyl 4-[(2-methoxyphenyl)methoxy]-2-methylsulfinylpyrimidine-5-carboxylate

ethyl 4-[(2-methoxyphenyl)methoxy]-2-methylsulfinylpyrimidine-5-carboxylate (PubChem CID 143501790) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is ethyl 4-[(2-methoxyphenyl)methoxy]-2-methylsulfinylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-methoxyphenyl)methoxy]-2-methylsulfinylpyrimidine-5-carboxylate
PubChem CID143501790
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Nameethyl 4-[(2-methoxyphenyl)methoxy]-2-methylsulfinylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(S(C)=O)nc1OCc1ccccc1OC
InChIInChI=1S/C16H18N2O5S/c1-4-22-15(19)12-9-17-16(24(3)20)18-14(12)23-10-11-7-5-6-8-13(11)21-2/h5-9H,4,10H2,1-3H3
InChIKeyBQISHTOJGAKFGB-UHFFFAOYSA-N
XLogP1.98
TPSA87.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-O-ethyl 2-O-[(2-methoxyphenyl)methyl] benzene-1,2-dicarboxylate
CID 91719915
ethyl 4-(3,5-dimethylcyclohexyl)oxy-2-methylsulfinylpyrimidine-5-carboxylate
CID 68931038
ethyl 4-amino-2-[(2-methoxyphenoxy)methyl]pyrimidine-5-carboxylate
CID 82168477
ethyl 4-[(4-methoxyphenyl)methoxy]-2-methylsulfanylpyrimidine-5-carboxylate
CID 22125138
ethyl 8-amino-4-[(2-methoxyphenyl)methylamino]quinoline-3-carboxylate
CID 10247376
ethyl 4-(diethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylate
CID 59517774
ethyl 4-methoxy-3-(naphthalen-1-ylmethoxy)benzoate
CID 91682838
ethyl 1-[(2-methoxyphenyl)methyl]-2,5-dimethylpyrrole-3-carboxylate
CID 90379206
ethyl 2-ethoxy-3-methoxybenzoate
CID 82186199
ethyl 2-(phenoxymethyl)benzoate
CID 14674220
(2-methoxyphenyl)methyl 2-[[1-[(2-methoxyphenyl)methoxy]-1-oxopropan-2-yl]disulfanyl]propanoate
CID 22418608
ethyl 4-(2-chlorophenoxy)-2-(4-fluoro-3-methoxyphenyl)pyrimidine-5-carboxylate
CID 11856692

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-methoxyphenyl)methoxy]-2-methylsulfinylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-[(2-methoxyphenyl)methoxy]-2-methylsulfinylpyrimidine-5-carboxylate (CID 143501790) is ethyl 4-[(2-methoxyphenyl)methoxy]-2-methylsulfinylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-[(2-methoxyphenyl)methoxy]-2-methylsulfinylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-[(2-methoxyphenyl)methoxy]-2-methylsulfinylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(S(C)=O)nc1OCc1ccccc1OC.
What is the InChIKey of ethyl 4-[(2-methoxyphenyl)methoxy]-2-methylsulfinylpyrimidine-5-carboxylate?
The InChIKey is BQISHTOJGAKFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-4-22-15(19)12-9-17-16(24(3)20)18-14(12)23-10-11-7-5-6-8-13(11)21-2/h5-9H,4,10H2,1-3H3.
What are the key properties of ethyl 4-[(2-methoxyphenyl)methoxy]-2-methylsulfinylpyrimidine-5-carboxylate?
ethyl 4-[(2-methoxyphenyl)methoxy]-2-methylsulfinylpyrimidine-5-carboxylate has a molecular weight of 350.40 g/mol, XLogP of 1.98, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-methoxyphenyl)methoxy]-2-methylsulfinylpyrimidine-5-carboxylate is sourced from PubChem (CID 143501790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).