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

C15H12N4O4S — CID 54288480

IUPAC4-hydroxy-5-(2-methoxyphenyl)sulfanyl-2-(6-oxo-1H-pyrimidin-2-yl)-1H-pyrimidin-6-one
SMILESCOc1ccccc1Sc1c(O)nc(-c2nccc(=O)[nH]2)[nH]c1=O
InChIInChI=1S/C15H12N4O4S/c1-23-8-4-2-3-5-9(8)24-11-14(21)18-13(19-15(11)22)12-16-7-6-10(20)17-12/h2-7H,1H3,(H,16,17,20)(H2,18,19,21,22)
InChIKeyRVVOIOYMDREWSF-UHFFFAOYSA-N
MW344.35 g/mol
LogP1.39
Rot. Bonds4

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

4-hydroxy-5-(2-methoxyphenyl)sulfanyl-2-(6-oxo-1H-pyrimidin-2-yl)-1H-pyrimidin-6-one (PubChem CID 54288480) has the molecular formula C15H12N4O4S and a molecular weight of 344.35 g/mol. Its IUPAC name is 4-hydroxy-5-(2-methoxyphenyl)sulfanyl-2-(6-oxo-1H-pyrimidin-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-(2-methoxyphenyl)sulfanyl-2-(6-oxo-1H-pyrimidin-2-yl)-1H-pyrimidin-6-one
PubChem CID54288480
Molecular FormulaC15H12N4O4S
Molecular Weight344.35 g/mol
Exact Mass344.06
IUPAC Name4-hydroxy-5-(2-methoxyphenyl)sulfanyl-2-(6-oxo-1H-pyrimidin-2-yl)-1H-pyrimidin-6-one
SMILESCOc1ccccc1Sc1c(O)nc(-c2nccc(=O)[nH]2)[nH]c1=O
InChIInChI=1S/C15H12N4O4S/c1-23-8-4-2-3-5-9(8)24-11-14(21)18-13(19-15(11)22)12-16-7-6-10(20)17-12/h2-7H,1H3,(H,16,17,20)(H2,18,19,21,22)
InChIKeyRVVOIOYMDREWSF-UHFFFAOYSA-N
XLogP1.39
TPSA120.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-hydroxy-5-(2-methoxyphenyl)sulfanyl-2-(6-oxo-1H-pyrimidin-2-yl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(2-methoxyphenyl)sulfanyl-2-(6-oxo-1H-pyrimidin-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-(2-methoxyphenyl)sulfanyl-2-(6-oxo-1H-pyrimidin-2-yl)-1H-pyrimidin-6-one (CID 54288480) is 4-hydroxy-5-(2-methoxyphenyl)sulfanyl-2-(6-oxo-1H-pyrimidin-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-(2-methoxyphenyl)sulfanyl-2-(6-oxo-1H-pyrimidin-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-(2-methoxyphenyl)sulfanyl-2-(6-oxo-1H-pyrimidin-2-yl)-1H-pyrimidin-6-one is COc1ccccc1Sc1c(O)nc(-c2nccc(=O)[nH]2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-(2-methoxyphenyl)sulfanyl-2-(6-oxo-1H-pyrimidin-2-yl)-1H-pyrimidin-6-one?
The InChIKey is RVVOIOYMDREWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O4S/c1-23-8-4-2-3-5-9(8)24-11-14(21)18-13(19-15(11)22)12-16-7-6-10(20)17-12/h2-7H,1H3,(H,16,17,20)(H2,18,19,21,22).
What are the key properties of 4-hydroxy-5-(2-methoxyphenyl)sulfanyl-2-(6-oxo-1H-pyrimidin-2-yl)-1H-pyrimidin-6-one?
4-hydroxy-5-(2-methoxyphenyl)sulfanyl-2-(6-oxo-1H-pyrimidin-2-yl)-1H-pyrimidin-6-one has a molecular weight of 344.35 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(2-methoxyphenyl)sulfanyl-2-(6-oxo-1H-pyrimidin-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 54288480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).