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823796-38-9 | 5-Pyrimidinemethanol, 4-(dimethylamino)-2-phenyl-
CAS No: 823796-38-9 Catalog No: AG005CXE MDL No:
Product Description
Catalog Number:
AG005CXE
Chemical Name:
5-Pyrimidinemethanol, 4-(dimethylamino)-2-phenyl-
CAS Number:
823796-38-9
Molecular Formula:
C13H15N3O
Molecular Weight:
229.2777
IUPAC Name:
[4-(dimethylamino)-2-phenylpyrimidin-5-yl]methanol
InChI:
InChI=1S/C13H15N3O/c1-16(2)13-11(9-17)8-14-12(15-13)10-6-4-3-5-7-10/h3-8,17H,9H2,1-2H3
InChI Key:
HTDPGBFLMGAEEC-UHFFFAOYSA-N
SMILES:
OCc1cnc(nc1N(C)C)c1ccccc1
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.122g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.283g/mol
Monoisotopic Mass:
229.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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