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88075-70-1 | 5-Pyrimidinecarboxaldehyde, 2,6-diamino-1,4-dihydro-4-oxo-
CAS No: 88075-70-1 Catalog No: AG004ERO MDL No:MFCD03181315
Product Description
Catalog Number:
AG004ERO
Chemical Name:
5-Pyrimidinecarboxaldehyde, 2,6-diamino-1,4-dihydro-4-oxo-
CAS Number:
88075-70-1
Molecular Formula:
C5H6N4O2
Molecular Weight:
154.1267
MDL Number:
MFCD03181315
IUPAC Name:
2,4-diamino-6-oxo-1H-pyrimidine-5-carbaldehyde
InChI:
InChI=1S/C5H6N4O2/c6-3-2(1-10)4(11)9-5(7)8-3/h1H,(H5,6,7,8,9,11)
InChI Key:
UARQZTIUTBJHGG-UHFFFAOYSA-N
SMILES:
Nc1c(C=O)c(=O)nc([nH]1)N
NSC Number:
748125
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.049g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
154.129g/mol
Monoisotopic Mass:
154.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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