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19143-24-9 | 4-Pyrimidinecarboxaldehyde, 2,6-diamino-5-phenyl-
CAS No: 19143-24-9 Catalog No: AG002F99 MDL No:
Product Description
Catalog Number:
AG002F99
Chemical Name:
4-Pyrimidinecarboxaldehyde, 2,6-diamino-5-phenyl-
CAS Number:
19143-24-9
Molecular Formula:
C11H10N4O
Molecular Weight:
214.2233
IUPAC Name:
2,6-diamino-5-phenylpyrimidine-4-carbaldehyde
InChI:
InChI=1S/C11H10N4O/c12-10-9(7-4-2-1-3-5-7)8(6-16)14-11(13)15-10/h1-6H,(H4,12,13,14,15)
InChI Key:
WQCLQCLLHMVNIN-UHFFFAOYSA-N
SMILES:
O=Cc1nc(N)nc(c1c1ccccc1)N
NSC Number:
153751
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.228g/mol
Monoisotopic Mass:
214.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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