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13922-58-2 | 2H-Pyrimido[4,5-e]-1,3-oxazine-6,8(5H,7H)-dione, 3,4-dihydro-3,5-dimethyl-
CAS No: 13922-58-2 Catalog No: AG001AI5 MDL No:
Product Description
Catalog Number:
AG001AI5
Chemical Name:
2H-Pyrimido[4,5-e]-1,3-oxazine-6,8(5H,7H)-dione, 3,4-dihydro-3,5-dimethyl-
CAS Number:
13922-58-2
Molecular Formula:
C8H11N3O3
Molecular Weight:
197.1912
IUPAC Name:
3,5-dimethyl-2,4-dihydropyrimido[4,5-e][1,3]oxazine-6,8-dione
InChI:
InChI=1S/C8H11N3O3/c1-10-3-5-6(14-4-10)7(12)9-8(13)11(5)2/h3-4H2,1-2H3,(H,9,12,13)
InChI Key:
MQKKBAAGUMVKAX-UHFFFAOYSA-N
SMILES:
CN1COc2c(C1)n(C)c(=O)[nH]c2=O
UNII:
307QII18Y7
NSC Number:
102268
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.08g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.194g/mol
Monoisotopic Mass:
197.08g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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