Home > Compound List > Compound details
15231-48-8 molecular structure
click picture or here to close

4-methylpyrimidin-2-ol

ChemBase ID: 68585
Molecular Formular: C5H6N2O
Molecular Mass: 110.11394
Monoisotopic Mass: 110.04801282
SMILES and InChIs

SMILES:
c1(nc(ccn1)C)O
Canonical SMILES:
Cc1ccnc(n1)O
InChI:
InChI=1S/C5H6N2O/c1-4-2-3-6-5(8)7-4/h2-3H,1H3,(H,6,7,8)
InChIKey:
AHHHDTLXONDKQF-UHFFFAOYSA-N

Cite this record

CBID:68585 http://www.chembase.cn/molecule-68585.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methylpyrimidin-2-ol
IUPAC Traditional name
4-methylpyrimidin-2-ol
Synonyms
4-Methylpyrimidin-2-ol
2-HYDROXY-4-METHYLPYRIMIDINE
4-methyl-2-pyrimidinol
CAS Number
15231-48-8
MDL Number
MFCD00044500
PubChem SID
162103485
PubChem CID
407091

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.685642  H Acceptors
H Donor LogD (pH = 5.5) 0.556325 
LogD (pH = 7.4) 0.5563261  Log P 0.5563263 
Molar Refractivity 29.2407 cm3 Polarizability 10.935776 Å3
Polar Surface Area 46.01 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle