4-hydroxy-5-(2-methoxyphenyl)sulfanyl-2-methyl-1H-pyrimidin-6-one

C12H12N2O3S — CID 19934731

IUPAC4-hydroxy-5-(2-methoxyphenyl)sulfanyl-2-methyl-1H-pyrimidin-6-one
SMILESCOc1ccccc1Sc1c(O)nc(C)[nH]c1=O
InChIInChI=1S/C12H12N2O3S/c1-7-13-11(15)10(12(16)14-7)18-9-6-4-3-5-8(9)17-2/h3-6H,1-2H3,(H2,13,14,15,16)
InChIKeySYLSNZHZNCLUIW-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.94
Rot. Bonds3

About 4-hydroxy-5-(2-methoxyphenyl)sulfanyl-2-methyl-1H-pyrimidin-6-one

4-hydroxy-5-(2-methoxyphenyl)sulfanyl-2-methyl-1H-pyrimidin-6-one (PubChem CID 19934731) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 4-hydroxy-5-(2-methoxyphenyl)sulfanyl-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-(2-methoxyphenyl)sulfanyl-2-methyl-1H-pyrimidin-6-one
PubChem CID19934731
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name4-hydroxy-5-(2-methoxyphenyl)sulfanyl-2-methyl-1H-pyrimidin-6-one
SMILESCOc1ccccc1Sc1c(O)nc(C)[nH]c1=O
InChIInChI=1S/C12H12N2O3S/c1-7-13-11(15)10(12(16)14-7)18-9-6-4-3-5-8(9)17-2/h3-6H,1-2H3,(H2,13,14,15,16)
InChIKeySYLSNZHZNCLUIW-UHFFFAOYSA-N
XLogP1.94
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(2-methoxyphenyl)sulfanyl-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-(2-methoxyphenyl)sulfanyl-2-methyl-1H-pyrimidin-6-one (CID 19934731) is 4-hydroxy-5-(2-methoxyphenyl)sulfanyl-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-(2-methoxyphenyl)sulfanyl-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-(2-methoxyphenyl)sulfanyl-2-methyl-1H-pyrimidin-6-one is COc1ccccc1Sc1c(O)nc(C)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-(2-methoxyphenyl)sulfanyl-2-methyl-1H-pyrimidin-6-one?
The InChIKey is SYLSNZHZNCLUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-7-13-11(15)10(12(16)14-7)18-9-6-4-3-5-8(9)17-2/h3-6H,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-hydroxy-5-(2-methoxyphenyl)sulfanyl-2-methyl-1H-pyrimidin-6-one?
4-hydroxy-5-(2-methoxyphenyl)sulfanyl-2-methyl-1H-pyrimidin-6-one has a molecular weight of 264.31 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(2-methoxyphenyl)sulfanyl-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 19934731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).