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Home > Aldehydes > 921846-38-0
921846-38-0 | 5-Pyrimidinecarboxaldehyde, 2,4-diamino-6-(methylamino)-
CAS No: 921846-38-0 Catalog No: AG00631H MDL No:MFCD20685748
Product Description
Catalog Number:
AG00631H
Chemical Name:
5-Pyrimidinecarboxaldehyde, 2,4-diamino-6-(methylamino)-
CAS Number:
921846-38-0
Molecular Formula:
C6H9N5O
Molecular Weight:
167.1686
MDL Number:
MFCD20685748
IUPAC Name:
2,4-diamino-6-(methylamino)pyrimidine-5-carbaldehyde
InChI:
InChI=1S/C6H9N5O/c1-9-5-3(2-12)4(7)10-6(8)11-5/h2H,1H3,(H5,7,8,9,10,11)
InChI Key:
UTUOMPNDJLXHSU-UHFFFAOYSA-N
SMILES:
CNc1nc(N)nc(c1C=O)N
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.081g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
167.172g/mol
Monoisotopic Mass:
167.081g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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