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88467-03-2 | 5-Pyrimidinol, 2,4-bis[(dimethylamino)methyl]-6-phenyl-, 3-oxide
CAS No: 88467-03-2 Catalog No: AG004BU0 MDL No:
Product Description
Catalog Number:
AG004BU0
Chemical Name:
5-Pyrimidinol, 2,4-bis[(dimethylamino)methyl]-6-phenyl-, 3-oxide
CAS Number:
88467-03-2
Molecular Formula:
C16H22N4O2
Molecular Weight:
302.3715
IUPAC Name:
2,6-bis[(dimethylamino)methyl]-1-oxido-4-phenylpyrimidin-1-ium-5-ol
InChI:
InChI=1S/C16H22N4O2/c1-18(2)10-13-16(21)15(12-8-6-5-7-9-12)17-14(20(13)22)11-19(3)4/h5-9,21H,10-11H2,1-4H3
InChI Key:
DFEZJQWEUXUFNU-UHFFFAOYSA-N
SMILES:
CN(Cc1nc(c2ccccc2)c(c([n+]1[O-])CN(C)C)O)C
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.174g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.378g/mol
Monoisotopic Mass:
302.174g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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