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20781-06-0 | 5-Pyrimidinecarboxaldehyde, 2,4-diamino-
CAS No: 20781-06-0 Catalog No: AG002JBR MDL No:MFCD04973412
Product Description
Catalog Number:
AG002JBR
Chemical Name:
5-Pyrimidinecarboxaldehyde, 2,4-diamino-
CAS Number:
20781-06-0
Molecular Formula:
C5H6N4O
Molecular Weight:
138.1273
MDL Number:
MFCD04973412
IUPAC Name:
2,4-diaminopyrimidine-5-carbaldehyde
InChI:
InChI=1S/C5H6N4O/c6-4-3(2-10)1-8-5(7)9-4/h1-2H,(H4,6,7,8,9)
InChI Key:
GPWNWKWQOLEVEQ-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(nc1N)N
NSC Number:
211353
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.054g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
138.13g/mol
Monoisotopic Mass:
138.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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