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33643-94-6 molecular structure
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2-phenylpyrimidin-4-ol

ChemBase ID: 797243
Molecular Formular: C10H8N2O
Molecular Mass: 172.18332
Monoisotopic Mass: 172.06366289
SMILES and InChIs

SMILES:
c1c(nc(nc1)c1ccccc1)O
Canonical SMILES:
Oc1ccnc(n1)c1ccccc1
InChI:
InChI=1S/C10H8N2O/c13-9-6-7-11-10(12-9)8-4-2-1-3-5-8/h1-7H,(H,11,12,13)
InChIKey:
JJXBLRJIMBFLMY-UHFFFAOYSA-N

Cite this record

CBID:797243 http://www.chembase.cn/molecule-797243.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-phenylpyrimidin-4-ol
IUPAC Traditional name
2-phenylpyrimidin-4-ol
Synonyms
2-PhenylpyriMidin-4-ol
2-phenyl-pyrimidin-4-ol
4-HYDROXY-2-PHENYLPYRIMIDINE
CAS Number
33643-94-6
127892-81-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.399011  H Acceptors
H Donor LogD (pH = 5.5) 2.7449765 
LogD (pH = 7.4) 2.7449825  Log P 2.7449868 
Molar Refractivity 60.4278 cm3 Polarizability 19.42657 Å3
Polar Surface Area 46.01 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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