Home Halogens Ethyl 2-amino-4-chloro-5h-pyrrolo[3,4-d]pyrimidine-6(7h)-carboxylate

Ethyl 2-amino-4-chloro-5h-pyrrolo[3,4-d]pyrimidine-6(7h)-carboxylate

CAS No.:
1046861-17-9
Catalog Number:
AG0094QH
Molecular Formula:
C9H11ClN4O2
Molecular Weight:
242.6622
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$168
- +
250mg
95%
In Stock USA
United States
$294
- +
1g
95%
In Stock USA
United States
$588
- +
5g
95%
In Stock USA
United States
$1764
- +
Product Description
Catalog Number:
AG0094QH
Chemical Name:
Ethyl 2-amino-4-chloro-5h-pyrrolo[3,4-d]pyrimidine-6(7h)-carboxylate
CAS Number:
1046861-17-9
Molecular Formula:
C9H11ClN4O2
Molecular Weight:
242.6622
MDL Number:
MFCD14706243
IUPAC Name:
ethyl 2-amino-4-chloro-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
InChI:
InChI=1S/C9H11ClN4O2/c1-2-16-9(15)14-3-5-6(4-14)12-8(11)13-7(5)10/h2-4H2,1H3,(H2,11,12,13)
InChI Key:
JBAHBQSAVOXVPF-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1Cc2c(C1)c(Cl)nc(=N)[nH]2
Properties
Complexity:
278  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.057g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
242.663g/mol
Monoisotopic Mass:
242.057g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties