Home Pyridines 1105195-59-2
1105195-59-2,MFCD16631649
Catalog No.:AA01AQJ8
1105195-59-2 | 5-Methoxy-1-methylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
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Technical Information
Catalog Number:
AA01AQJ8
Chemical Name:
5-Methoxy-1-methylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CAS Number:
1105195-59-2
Molecular Formula:
C9H9N3O3
Molecular Weight:
207.1861
MDL Number:
MFCD16631649
IUPAC Name:
5-methoxy-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
InChI:
InChI=1S/C9H9N3O3/c1-12-7-6(8(13)11-9(12)14)5(15-2)3-4-10-7/h3-4H,1-2H3,(H,11,13,14)
InChI Key:
FVNGDJPRJJPTSX-UHFFFAOYSA-N
SMILES:
COc1ccnc2c1c(=O)[nH]c(=O)n2C
Properties
Computed Properties
 
Complexity:
294  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.064g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.189g/mol
Monoisotopic Mass:
207.064g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  

Synonyms
 
5-methoxy-1-methylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione 
1105195-59-2 
ZINC26421405 
AKOS005208256 
MCULE-1453568145 
L-3361 
F2135-0739 
5-methoxy-1-methyl-3H-pyrido[2,3-d]pyrimidine-2,4-dione 
5-methoxy-1-methyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione 
5-methoxy-1-methylpyrido[2,3-d]pyrimidine-2,4-dione 
Literature
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