4-(2-hydroxyphenyl)sulfanyl-1H-pyrimidin-6-one

C10H8N2O2S — CID 114581051

IUPAC4-(2-hydroxyphenyl)sulfanyl-1H-pyrimidin-6-one
SMILESO=c1cc(Sc2ccccc2O)nc[nH]1
InChIInChI=1S/C10H8N2O2S/c13-7-3-1-2-4-8(7)15-10-5-9(14)11-6-12-10/h1-6,13H,(H,11,12,14)
InChIKeyMFQUNGJCXHZWBY-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.63
Rot. Bonds2

About 4-(2-hydroxyphenyl)sulfanyl-1H-pyrimidin-6-one

4-(2-hydroxyphenyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 114581051) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID114581051
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name4-(2-hydroxyphenyl)sulfanyl-1H-pyrimidin-6-one
SMILESO=c1cc(Sc2ccccc2O)nc[nH]1
InChIInChI=1S/C10H8N2O2S/c13-7-3-1-2-4-8(7)15-10-5-9(14)11-6-12-10/h1-6,13H,(H,11,12,14)
InChIKeyMFQUNGJCXHZWBY-UHFFFAOYSA-N
XLogP1.63
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-hydroxyphenyl)sulfanyl-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

Related Compounds

4-(2-hydroxyphenyl)sulfanyl-2-methyl-1H-pyrimidin-6-one
CID 114581057
4-[(6-oxo-1H-pyrimidin-4-yl)sulfanyl]pyridine-2-carboxylic acid
CID 114574132
4-(4-hydroxybutan-2-ylsulfanyl)-1H-pyrimidin-6-one
CID 114578927
N-(2-methylsulfanylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136666365
2-[2-[(6-oxo-1H-pyrimidin-4-yl)sulfanyl]-1,3-thiazol-4-yl]acetic acid
CID 114574041
4-[(6-amino-1H-benzimidazol-2-yl)sulfanyl]-1H-pyrimidin-6-one
CID 114585580
methyl 3-[(6-oxo-1H-pyrimidin-4-yl)sulfanyl]butanoate
CID 114574109
2-[(6-oxo-1H-pyrimidin-4-yl)amino]-2-phenylacetic acid
CID 136958731
4-(4-phenylphenoxy)-1H-pyrimidin-6-one
CID 103240907
methyl 4-(2-hydroxyphenyl)sulfanylpyrimidine-2-carboxylate
CID 66287135
6-(2-hydroxyphenyl)sulfanyl-N,N-dimethylpyridine-3-sulfonamide
CID 103341224
methyl 4-(2-hydroxyphenyl)sulfanyl-6-methylpyrimidine-2-carboxylate
CID 66287136

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-hydroxyphenyl)sulfanyl-1H-pyrimidin-6-one (CID 114581051) is 4-(2-hydroxyphenyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-hydroxyphenyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-hydroxyphenyl)sulfanyl-1H-pyrimidin-6-one is O=c1cc(Sc2ccccc2O)nc[nH]1.
What is the InChIKey of 4-(2-hydroxyphenyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is MFQUNGJCXHZWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c13-7-3-1-2-4-8(7)15-10-5-9(14)11-6-12-10/h1-6,13H,(H,11,12,14).
What are the key properties of 4-(2-hydroxyphenyl)sulfanyl-1H-pyrimidin-6-one?
4-(2-hydroxyphenyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 220.25 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 114581051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).