4-hydroxy-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one

C13H12N2O4S — CID 704332

IUPAC4-hydroxy-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
SMILESCOc1ccc(C(=O)CSc2nc(O)cc(=O)[nH]2)cc1
InChIInChI=1S/C13H12N2O4S/c1-19-9-4-2-8(3-5-9)10(16)7-20-13-14-11(17)6-12(18)15-13/h2-6H,7H2,1H3,(H2,14,15,17,18)
InChIKeyUOSZYMFCVQHLQD-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.46
Rot. Bonds5

About 4-hydroxy-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one

4-hydroxy-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one (PubChem CID 704332) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is 4-hydroxy-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
PubChem CID704332
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Name4-hydroxy-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
SMILESCOc1ccc(C(=O)CSc2nc(O)cc(=O)[nH]2)cc1
InChIInChI=1S/C13H12N2O4S/c1-19-9-4-2-8(3-5-9)10(16)7-20-13-14-11(17)6-12(18)15-13/h2-6H,7H2,1H3,(H2,14,15,17,18)
InChIKeyUOSZYMFCVQHLQD-UHFFFAOYSA-N
XLogP1.46
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one (CID 704332) is 4-hydroxy-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one is COc1ccc(C(=O)CSc2nc(O)cc(=O)[nH]2)cc1.
What is the InChIKey of 4-hydroxy-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one?
The InChIKey is UOSZYMFCVQHLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c1-19-9-4-2-8(3-5-9)10(16)7-20-13-14-11(17)6-12(18)15-13/h2-6H,7H2,1H3,(H2,14,15,17,18).
What are the key properties of 4-hydroxy-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one?
4-hydroxy-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one has a molecular weight of 292.32 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 704332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).