Home > Compound List > Compound details
36315-01-2 molecular structure
click picture or here to close

4,6-dimethoxypyrimidin-2-amine

ChemBase ID: 68747
Molecular Formular: C6H9N3O2
Molecular Mass: 155.15456
Monoisotopic Mass: 155.06947654
SMILES and InChIs

SMILES:
c1(nc(cc(n1)OC)OC)N
Canonical SMILES:
COc1cc(OC)nc(n1)N
InChI:
InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)
InChIKey:
LVFRCHIUUKWBLR-UHFFFAOYSA-N

Cite this record

CBID:68747 http://www.chembase.cn/molecule-68747.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,6-dimethoxypyrimidin-2-amine
IUPAC Traditional name
4,6-dimethoxypyrimidin-2-amine
Synonyms
2-Amino-4,6-dimethoxypyrimidine
2-Amino-4,6-dimethoxypyrimidine
4,6-Dimethoxy-2-aminopyrimidine
4,6-dimethoxypyrimidin-2-amine
4,6-Dimethoxy-2-pyrimidinamine
2-氨基-4,6-二甲氧基嘧啶
CAS Number
36315-01-2
EC Number
252-969-6
MDL Number
MFCD00038832
PubChem SID
24863382
162034477
PubChem CID
118946

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.727736  H Acceptors
H Donor LogD (pH = 5.5) 0.71102506 
LogD (pH = 7.4) 0.7723264  Log P 0.773168 
Molar Refractivity 40.9221 cm3 Polarizability 14.78986 Å3
Polar Surface Area 70.26 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
94 - 96°C expand Show data source
94-96 °C(lit.) expand Show data source
94-96°C expand Show data source
94-96°C expand Show data source
Hydrophobicity(logP)
1.166 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
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
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 Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C6H9N3O2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 375349 external link
Packaging
5, 25 g in glass bottle

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