Home > Compound List > Compound details
1193-22-2 molecular structure
click picture or here to close

6-aminopyrimidin-4-ol

ChemBase ID: 22358
Molecular Formular: C4H5N3O
Molecular Mass: 111.102
Monoisotopic Mass: 111.0432618
SMILES and InChIs

SMILES:
c1c(ncnc1O)N
Canonical SMILES:
Nc1ncnc(c1)O
InChI:
InChI=1S/C4H5N3O/c5-3-1-4(8)7-2-6-3/h1-2H,(H3,5,6,7,8)
InChIKey:
HFMLLTVIMFEQRE-UHFFFAOYSA-N

Cite this record

CBID:22358 http://www.chembase.cn/molecule-22358.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-aminopyrimidin-4-ol
IUPAC Traditional name
6-aminopyrimidin-4-ol
Synonyms
4-Amino-6-pyrimidinol
4-Hydroxy-6-aminopyrimidine
NSC 19868
6-Amino-4(3H)-pyrimidinone
6-Amino-4(1H)-pyrimidinone
6-Amino-4-pyrimidinol 4-Amino-6-hydroxypyrimidine
6-Aminopyrimidin-4(3H)-one
6-Aminopyrimidin-4-ol
4-Amino-6-hydroxypyrimidine
6-Aminopyrimidin-4-ol
4-Amino-6-hydroxypyrimidine
4-氨基-6-羟基嘧啶
CAS Number
1193-22-2
EC Number
214-771-8
MDL Number
MFCD00051502
Beilstein Number
112429
PubChem SID
160985665
PubChem CID
70944

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.135416  H Acceptors
H Donor LogD (pH = 5.5) 0.10506059 
LogD (pH = 7.4) 0.1061375  Log P 0.10615924 
Molar Refractivity 30.0306 cm3 Polarizability 10.338673 Å3
Polar Surface Area 72.03 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Apperance
White Solid expand Show data source
Melting Point
262-264°C expand Show data source
262-264°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
98% expand Show data source
Certificate of Analysis
Download 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