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Home > Aldehydes > 166047-41-2
166047-41-2 | 7H-Pyrrolo[2,3-d]pyrimidine-5-carboxaldehyde, 2,4-diamino-
CAS No: 166047-41-2 Catalog No: AG001WGF MDL No:
Product Description
Catalog Number:
AG001WGF
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine-5-carboxaldehyde, 2,4-diamino-
CAS Number:
166047-41-2
Molecular Formula:
C7H7N5O
Molecular Weight:
177.1634
IUPAC Name:
2,4-diamino-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde
InChI:
InChI=1S/C7H7N5O/c8-5-4-3(2-13)1-10-6(4)12-7(9)11-5/h1-2H,(H5,8,9,10,11,12)
InChI Key:
GIXSHQXNDSGRSG-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1c(N)nc(n2)N
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.065g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
177.167g/mol
Monoisotopic Mass:
177.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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