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150728-12-4 | [2,2'-Bipyrimidine]-4,6(1H,5H)-dione, 5-(2-methoxyphenoxy)-
CAS No: 150728-12-4 Catalog No: AG001MTN MDL No:MFCD09879703
Product Description
Catalog Number:
AG001MTN
Chemical Name:
[2,2'-Bipyrimidine]-4,6(1H,5H)-dione, 5-(2-methoxyphenoxy)-
CAS Number:
150728-12-4
Molecular Formula:
C15H12N4O4
Molecular Weight:
312.2802
MDL Number:
MFCD09879703
IUPAC Name:
5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-1H-pyrimidine-4,6-dione
InChI:
InChI=1S/C15H12N4O4/c1-22-9-5-2-3-6-10(9)23-11-14(20)18-13(19-15(11)21)12-16-7-4-8-17-12/h2-8,11H,1H3,(H,18,19,20,21)
InChI Key:
ZJMPECSQUMNGPA-UHFFFAOYSA-N
SMILES:
COc1ccccc1OC1C(=O)NC(=NC1=O)c1ncccn1
EC Number:
604-748-4
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.086g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.285g/mol
Monoisotopic Mass:
312.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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