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1170220-56-0 | 5H-Pyrrolo[3,4-d]pyrimidine-2-carboxamide, 6,7-dihydro-
CAS No: 1170220-56-0 Catalog No: AG000DKZ MDL No:
Product Description
Catalog Number:
AG000DKZ
Chemical Name:
5H-Pyrrolo[3,4-d]pyrimidine-2-carboxamide, 6,7-dihydro-
CAS Number:
1170220-56-0
Molecular Formula:
C7H8N4O
Molecular Weight:
164.1646
IUPAC Name:
6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carboxamide
InChI:
InChI=1S/C7H8N4O/c8-6(12)7-10-2-4-1-9-3-5(4)11-7/h2,9H,1,3H2,(H2,8,12)
InChI Key:
GYUCZCMPDXFLDR-UHFFFAOYSA-N
SMILES:
NC(=O)c1ncc2c(n1)CNC2
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.07g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
164.168g/mol
Monoisotopic Mass:
164.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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