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691869-96-2 molecular structure
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methyl 7-amino-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

ChemBase ID: 40297
Molecular Formular: C9H10N4O2
Molecular Mass: 206.2013
Monoisotopic Mass: 206.08037558
SMILES and InChIs

SMILES:
n12c(c(cnc1cc(n2)C)C(=O)OC)N
Canonical SMILES:
COC(=O)c1cnc2n(c1N)nc(c2)C
InChI:
InChI=1S/C9H10N4O2/c1-5-3-7-11-4-6(9(14)15-2)8(10)13(7)12-5/h3-4H,10H2,1-2H3
InChIKey:
IBQQVDGIZLRBOR-UHFFFAOYSA-N

Cite this record

CBID:40297 http://www.chembase.cn/molecule-40297.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 7-amino-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
IUPAC Traditional name
methyl 7-amino-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
Synonyms
Methyl 7-amino-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CAS Number
691869-96-2
MDL Number
MFCD03102683
PubChem SID
162045060
PubChem CID
2763438

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2763438 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.69776124  LogD (pH = 7.4) 0.6981795 
Log P 0.6981848  Molar Refractivity 64.3441 cm3
Polarizability 19.785091 Å3 Polar Surface Area 82.51 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
186 - 188 °C expand Show data source
186-188°C expand Show data source
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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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