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

C14H14N2O3S — CID 7183951

IUPAC4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-methyl-1H-pyrimidin-2-one
SMILESCOc1ccc(C(=O)CSc2cc(C)[nH]c(=O)n2)cc1
InChIInChI=1S/C14H14N2O3S/c1-9-7-13(16-14(18)15-9)20-8-12(17)10-3-5-11(19-2)6-4-10/h3-7H,8H2,1-2H3,(H,15,16,18)
InChIKeyZURPWNYMWIEWMT-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.06
Rot. Bonds5

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

4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-methyl-1H-pyrimidin-2-one (PubChem CID 7183951) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-methyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-methyl-1H-pyrimidin-2-one
PubChem CID7183951
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-methyl-1H-pyrimidin-2-one
SMILESCOc1ccc(C(=O)CSc2cc(C)[nH]c(=O)n2)cc1
InChIInChI=1S/C14H14N2O3S/c1-9-7-13(16-14(18)15-9)20-8-12(17)10-3-5-11(19-2)6-4-10/h3-7H,8H2,1-2H3,(H,15,16,18)
InChIKeyZURPWNYMWIEWMT-UHFFFAOYSA-N
XLogP2.06
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-methyl-1H-pyrimidin-2-one?
The IUPAC name of 4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-methyl-1H-pyrimidin-2-one (CID 7183951) is 4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-methyl-1H-pyrimidin-2-one.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-methyl-1H-pyrimidin-2-one?
The canonical SMILES for 4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-methyl-1H-pyrimidin-2-one is COc1ccc(C(=O)CSc2cc(C)[nH]c(=O)n2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-methyl-1H-pyrimidin-2-one?
The InChIKey is ZURPWNYMWIEWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-9-7-13(16-14(18)15-9)20-8-12(17)10-3-5-11(19-2)6-4-10/h3-7H,8H2,1-2H3,(H,15,16,18).
What are the key properties of 4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-methyl-1H-pyrimidin-2-one?
4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-methyl-1H-pyrimidin-2-one has a molecular weight of 290.34 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-methyl-1H-pyrimidin-2-one is sourced from PubChem (CID 7183951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).