ethyl 4-[(4-methoxyphenyl)methoxy]-6-methyl-2-methylsulfanylpyrimidine-5-carboxylate

C17H20N2O4S — CID 166148226

IUPACethyl 4-[(4-methoxyphenyl)methoxy]-6-methyl-2-methylsulfanylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(SC)nc1OCc1ccc(OC)cc1
InChIInChI=1S/C17H20N2O4S/c1-5-22-16(20)14-11(2)18-17(24-4)19-15(14)23-10-12-6-8-13(21-3)9-7-12/h6-9H,5,10H2,1-4H3
InChIKeyRWMHCIOSNDSXJN-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.27
Rot. Bonds7

About ethyl 4-[(4-methoxyphenyl)methoxy]-6-methyl-2-methylsulfanylpyrimidine-5-carboxylate

ethyl 4-[(4-methoxyphenyl)methoxy]-6-methyl-2-methylsulfanylpyrimidine-5-carboxylate (PubChem CID 166148226) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is ethyl 4-[(4-methoxyphenyl)methoxy]-6-methyl-2-methylsulfanylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-methoxyphenyl)methoxy]-6-methyl-2-methylsulfanylpyrimidine-5-carboxylate
PubChem CID166148226
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Nameethyl 4-[(4-methoxyphenyl)methoxy]-6-methyl-2-methylsulfanylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(SC)nc1OCc1ccc(OC)cc1
InChIInChI=1S/C17H20N2O4S/c1-5-22-16(20)14-11(2)18-17(24-4)19-15(14)23-10-12-6-8-13(21-3)9-7-12/h6-9H,5,10H2,1-4H3
InChIKeyRWMHCIOSNDSXJN-UHFFFAOYSA-N
XLogP3.27
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-methoxyphenyl)methoxy]-6-methyl-2-methylsulfanylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-[(4-methoxyphenyl)methoxy]-6-methyl-2-methylsulfanylpyrimidine-5-carboxylate (CID 166148226) is ethyl 4-[(4-methoxyphenyl)methoxy]-6-methyl-2-methylsulfanylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-[(4-methoxyphenyl)methoxy]-6-methyl-2-methylsulfanylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-[(4-methoxyphenyl)methoxy]-6-methyl-2-methylsulfanylpyrimidine-5-carboxylate is CCOC(=O)c1c(C)nc(SC)nc1OCc1ccc(OC)cc1.
What is the InChIKey of ethyl 4-[(4-methoxyphenyl)methoxy]-6-methyl-2-methylsulfanylpyrimidine-5-carboxylate?
The InChIKey is RWMHCIOSNDSXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-5-22-16(20)14-11(2)18-17(24-4)19-15(14)23-10-12-6-8-13(21-3)9-7-12/h6-9H,5,10H2,1-4H3.
What are the key properties of ethyl 4-[(4-methoxyphenyl)methoxy]-6-methyl-2-methylsulfanylpyrimidine-5-carboxylate?
ethyl 4-[(4-methoxyphenyl)methoxy]-6-methyl-2-methylsulfanylpyrimidine-5-carboxylate has a molecular weight of 348.42 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-methoxyphenyl)methoxy]-6-methyl-2-methylsulfanylpyrimidine-5-carboxylate is sourced from PubChem (CID 166148226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).