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22727-43-1 molecular structure
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4,6-dimethylfuro[2,3-d]pyrimidin-2-amine

ChemBase ID: 143978
Molecular Formular: C8H9N3O
Molecular Mass: 163.17656
Monoisotopic Mass: 163.07456192
SMILES and InChIs

SMILES:
Cc1cc2c(nc(nc2o1)N)C
Canonical SMILES:
Nc1nc(C)c2c(n1)oc(c2)C
InChI:
InChI=1S/C8H9N3O/c1-4-3-6-5(2)10-8(9)11-7(6)12-4/h3H,1-2H3,(H2,9,10,11)
InChIKey:
MSEVJFYMGKQFNO-UHFFFAOYSA-N

Cite this record

CBID:143978 http://www.chembase.cn/molecule-143978.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,6-dimethylfuro[2,3-d]pyrimidin-2-amine
IUPAC Traditional name
4,6-dimethylfuro[2,3-d]pyrimidin-2-amine
Synonyms
4,6-Dimethylfuro[2,3-d]pyrimidin-2-amine
4,6-dimethylfuro[2,3-d]pyrimidin-2-amine
CAS Number
22727-43-1
MDL Number
MFCD00461660
PubChem SID
162238195
PubChem CID
595850

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 595850 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.194157  H Acceptors
H Donor LogD (pH = 5.5) 0.7536303 
LogD (pH = 7.4) 0.75706846  Log P 0.75711244 
Molar Refractivity 45.9036 cm3 Polarizability 16.929356 Å3
Polar Surface Area 64.94 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
Empirical Formula (Hill Notation)
C8H9N3O expand Show data source
Classification
Derivatives & analogs of Natural Compounds expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - CBR00422 external link
Other Notes
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Legal Information
Product of ChemBridge Corp.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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