Home Carboxys ethyl 5H,6H,7H,8H-imidazo[1,2-a]pyrimidine-3-carboxylate

ethyl 5H,6H,7H,8H-imidazo[1,2-a]pyrimidine-3-carboxylate

CAS No.:
2089992-77-6
Catalog Number:
AG01EHXU
Molecular Formula:
C9H13N3O2
Molecular Weight:
195.2184
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Product Description
Catalog Number:
AG01EHXU
Chemical Name:
ethyl 5H,6H,7H,8H-imidazo[1,2-a]pyrimidine-3-carboxylate
CAS Number:
2089992-77-6
Molecular Formula:
C9H13N3O2
Molecular Weight:
195.2184
MDL Number:
MFCD31736446
IUPAC Name:
ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylate
InChI:
InChI=1S/C9H13N3O2/c1-2-14-8(13)7-6-11-9-10-4-3-5-12(7)9/h6H,2-5H2,1H3,(H,10,11)
InChI Key:
UHJFLDRPOGQOJF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc2n1CCCN2
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.101g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
195.222g/mol
Monoisotopic Mass:
195.101g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties