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20545-93-1 | [4,4'-Bipyrimidine]-2,2',6(1H,3H,3'H)-trione, 4,5-dihydro-5-hydroxy-5,5'-dimethyl-
CAS No: 20545-93-1 Catalog No: AG002MRT MDL No:
Product Description
Catalog Number:
AG002MRT
Chemical Name:
[4,4'-Bipyrimidine]-2,2',6(1H,3H,3'H)-trione, 4,5-dihydro-5-hydroxy-5,5'-dimethyl-
CAS Number:
20545-93-1
Molecular Formula:
C10H12N4O4
Molecular Weight:
252.2267
IUPAC Name:
5-hydroxy-5-methyl-6-(5-methyl-2-oxo-1H-pyrimidin-6-yl)-1,3-diazinane-2,4-dione
InChI:
InChI=1S/C10H12N4O4/c1-4-3-11-8(16)12-5(4)6-10(2,18)7(15)14-9(17)13-6/h3,6,18H,1-2H3,(H,11,12,16)(H2,13,14,15,17)
InChI Key:
FAIHIWDKQVXTTP-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(C(N1)c1[nH]c(=O)ncc1C)(C)O
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.086g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
252.23g/mol
Monoisotopic Mass:
252.086g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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