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88629-02-1 | Pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione, 1,3-diethyl-7-methyl-
CAS No: 88629-02-1 Catalog No: AG004BRU MDL No:
Product Description
Catalog Number:
AG004BRU
Chemical Name:
Pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione, 1,3-diethyl-7-methyl-
CAS Number:
88629-02-1
Molecular Formula:
C12H15N3O2
Molecular Weight:
233.2664
IUPAC Name:
1,3-diethyl-7-methylpyrido[2,3-d]pyrimidine-2,4-dione
InChI:
InChI=1S/C12H15N3O2/c1-4-14-10-9(7-6-8(3)13-10)11(16)15(5-2)12(14)17/h6-7H,4-5H2,1-3H3
InChI Key:
JGEOCEFXRVHKEH-UHFFFAOYSA-N
SMILES:
CCn1c2nc(C)ccc2c(=O)n(c1=O)CC
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.271g/mol
Monoisotopic Mass:
233.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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