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MFCD00269287 molecular structure
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5,6-dimethyl-2-(pyridin-2-yl)pyrimidin-4-ol

ChemBase ID: 92100
Molecular Formular: C11H11N3O
Molecular Mass: 201.22454
Monoisotopic Mass: 201.09021199
SMILES and InChIs

SMILES:
n1c(nc(c(c1C)C)O)c1ccccn1
Canonical SMILES:
Cc1nc(nc(c1C)O)c1ccccn1
InChI:
InChI=1S/C11H11N3O/c1-7-8(2)13-10(14-11(7)15)9-5-3-4-6-12-9/h3-6H,1-2H3,(H,13,14,15)
InChIKey:
RVSHHTOLEDONMB-UHFFFAOYSA-N

Cite this record

CBID:92100 http://www.chembase.cn/molecule-92100.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5,6-dimethyl-2-(pyridin-2-yl)pyrimidin-4-ol
IUPAC Traditional name
5,6-dimethyl-2-(pyridin-2-yl)pyrimidin-4-ol
Synonyms
5,6-Dimethyl-4-hydroxy-2-(pyridin-2-yl)pyrimidine
5,6-dimethyl-2-(pyridin-2-yl)pyrimidin-4-ol
MDL Number
MFCD00269287
PubChem SID
162078798
PubChem CID
2736252

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2736252 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.876396  H Acceptors
H Donor LogD (pH = 5.5) 2.5988154 
LogD (pH = 7.4) 2.5988655  Log P 2.5988677 
Molar Refractivity 67.5316 cm3 Polarizability 22.059246 Å3
Polar Surface Area 58.9 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
145 - 147°C expand Show data source
Hydrophobicity(logP)
1.004 expand Show data source
Storage Warning
Irritant expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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