Home > Compound List > Compound details
944906-58-5 molecular structure
click picture or here to close

methyl imidazo[1,2-a]pyrimidine-6-carboxylate

ChemBase ID: 88651
Molecular Formular: C8H7N3O2
Molecular Mass: 177.16008
Monoisotopic Mass: 177.05382648
SMILES and InChIs

SMILES:
n1cc(cn2c1ncc2)C(=O)OC
Canonical SMILES:
COC(=O)c1cnc2n(c1)ccn2
InChI:
InChI=1S/C8H7N3O2/c1-13-7(12)6-4-10-8-9-2-3-11(8)5-6/h2-5H,1H3
InChIKey:
UXVKCJJXFHSBHE-UHFFFAOYSA-N

Cite this record

CBID:88651 http://www.chembase.cn/molecule-88651.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl imidazo[1,2-a]pyrimidine-6-carboxylate
IUPAC Traditional name
methyl imidazo[1,2-a]pyrimidine-6-carboxylate
Synonyms
6-(Methoxycarbonyl)imidazo[1,2-a]pyrimidine
Methyl imidazo[1,2-a]pyrimidine-6-carboxylate
CAS Number
944906-58-5
PubChem SID
162075572
PubChem CID
45356731

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR41140 external link Add to cart Please log in.
Data Source Data ID
PubChem 45356731 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.19070841  LogD (pH = 7.4) -0.18924682 
Log P -0.18922813  Molar Refractivity 46.8149 cm3
Polarizability 16.893484 Å3 Polar Surface Area 56.49 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Harmful/Irritant 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