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76574-51-1 | 5-Pyrimidinecarboxaldehyde, 4-amino-2-ethyl-
CAS No: 76574-51-1 Catalog No: AG005WYO MDL No:
Product Description
Catalog Number:
AG005WYO
Chemical Name:
5-Pyrimidinecarboxaldehyde, 4-amino-2-ethyl-
CAS Number:
76574-51-1
Molecular Formula:
C7H9N3O
Molecular Weight:
151.1659
IUPAC Name:
4-amino-2-ethylpyrimidine-5-carbaldehyde
InChI:
InChI=1S/C7H9N3O/c1-2-6-9-3-5(4-11)7(8)10-6/h3-4H,2H2,1H3,(H2,8,9,10)
InChI Key:
VTHFPIHRGHVRGB-UHFFFAOYSA-N
SMILES:
CCc1ncc(c(n1)N)C=O
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.075g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
151.169g/mol
Monoisotopic Mass:
151.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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