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1257849-91-4 | 7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid, 4-amino-, ethyl ester
CAS No: 1257849-91-4 Catalog No: AG000OPC MDL No:MFCD17215615
Product Description
Catalog Number:
AG000OPC
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid, 4-amino-, ethyl ester
CAS Number:
1257849-91-4
Molecular Formula:
C9H10N4O2
Molecular Weight:
206.2013
MDL Number:
MFCD17215615
IUPAC Name:
ethyl 4-amino-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
InChI:
InChI=1S/C9H10N4O2/c1-2-15-9(14)6-3-5-7(10)11-4-12-8(5)13-6/h3-4H,2H2,1H3,(H3,10,11,12,13)
InChI Key:
MZGXTPMPWBBCNB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c([nH]1)ncnc2N
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.08g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.205g/mol
Monoisotopic Mass:
206.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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