5-ethyl-4-[(4-methoxyphenyl)methoxy]-2-methylsulfanylpyrano[2,3-d]pyrimidin-7-one

C18H18N2O4S — CID 59304827

IUPAC5-ethyl-4-[(4-methoxyphenyl)methoxy]-2-methylsulfanylpyrano[2,3-d]pyrimidin-7-one
SMILESCCc1cc(=O)oc2nc(SC)nc(OCc3ccc(OC)cc3)c12
InChIInChI=1S/C18H18N2O4S/c1-4-12-9-14(21)24-17-15(12)16(19-18(20-17)25-3)23-10-11-5-7-13(22-2)8-6-11/h5-9H,4,10H2,1-3H3
InChIKeyZTQRTYQOZCNAEF-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.45
Rot. Bonds6

About 5-ethyl-4-[(4-methoxyphenyl)methoxy]-2-methylsulfanylpyrano[2,3-d]pyrimidin-7-one

5-ethyl-4-[(4-methoxyphenyl)methoxy]-2-methylsulfanylpyrano[2,3-d]pyrimidin-7-one (PubChem CID 59304827) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 5-ethyl-4-[(4-methoxyphenyl)methoxy]-2-methylsulfanylpyrano[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-ethyl-4-[(4-methoxyphenyl)methoxy]-2-methylsulfanylpyrano[2,3-d]pyrimidin-7-one
PubChem CID59304827
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name5-ethyl-4-[(4-methoxyphenyl)methoxy]-2-methylsulfanylpyrano[2,3-d]pyrimidin-7-one
SMILESCCc1cc(=O)oc2nc(SC)nc(OCc3ccc(OC)cc3)c12
InChIInChI=1S/C18H18N2O4S/c1-4-12-9-14(21)24-17-15(12)16(19-18(20-17)25-3)23-10-11-5-7-13(22-2)8-6-11/h5-9H,4,10H2,1-3H3
InChIKeyZTQRTYQOZCNAEF-UHFFFAOYSA-N
XLogP3.45
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-[(4-methoxyphenyl)methoxy]-2-methylsulfanylpyrano[2,3-d]pyrimidin-7-one?
The IUPAC name of 5-ethyl-4-[(4-methoxyphenyl)methoxy]-2-methylsulfanylpyrano[2,3-d]pyrimidin-7-one (CID 59304827) is 5-ethyl-4-[(4-methoxyphenyl)methoxy]-2-methylsulfanylpyrano[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 5-ethyl-4-[(4-methoxyphenyl)methoxy]-2-methylsulfanylpyrano[2,3-d]pyrimidin-7-one?
The canonical SMILES for 5-ethyl-4-[(4-methoxyphenyl)methoxy]-2-methylsulfanylpyrano[2,3-d]pyrimidin-7-one is CCc1cc(=O)oc2nc(SC)nc(OCc3ccc(OC)cc3)c12.
What is the InChIKey of 5-ethyl-4-[(4-methoxyphenyl)methoxy]-2-methylsulfanylpyrano[2,3-d]pyrimidin-7-one?
The InChIKey is ZTQRTYQOZCNAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-4-12-9-14(21)24-17-15(12)16(19-18(20-17)25-3)23-10-11-5-7-13(22-2)8-6-11/h5-9H,4,10H2,1-3H3.
What are the key properties of 5-ethyl-4-[(4-methoxyphenyl)methoxy]-2-methylsulfanylpyrano[2,3-d]pyrimidin-7-one?
5-ethyl-4-[(4-methoxyphenyl)methoxy]-2-methylsulfanylpyrano[2,3-d]pyrimidin-7-one has a molecular weight of 358.42 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-[(4-methoxyphenyl)methoxy]-2-methylsulfanylpyrano[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59304827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).