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133078-41-8 | 4(3H)-Pyrimidinone, 2-amino-6-(3-buten-1-yl)-
CAS No: 133078-41-8 Catalog No: AG001487 MDL No:
Product Description
Catalog Number:
AG001487
Chemical Name:
4(3H)-Pyrimidinone, 2-amino-6-(3-buten-1-yl)-
CAS Number:
133078-41-8
Molecular Formula:
C8H11N3O
Molecular Weight:
165.1924
IUPAC Name:
2-amino-4-but-3-enyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C8H11N3O/c1-2-3-4-6-5-7(12)11-8(9)10-6/h2,5H,1,3-4H2,(H3,9,10,11,12)
InChI Key:
KOMJJSHAGGNBCM-UHFFFAOYSA-N
SMILES:
Nc1nc(CCC=C)cc(=O)[nH]1
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.196g/mol
Monoisotopic Mass:
165.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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