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210538-72-0 | PYRIDO[4,3-D]PYRIMIDINE-6(5H)-CARBOXYLIC ACID, 7,8-DIHYDRO-2-METHYL-, 1,1-DIMETHYLETHYL ESTER
CAS No: 210538-72-0 Catalog No: AG002KUN MDL No:
Product Description
Catalog Number:
AG002KUN
Chemical Name:
PYRIDO[4,3-D]PYRIMIDINE-6(5H)-CARBOXYLIC ACID, 7,8-DIHYDRO-2-METHYL-, 1,1-DIMETHYLETHYL ESTER
CAS Number:
210538-72-0
Molecular Formula:
C13H19N3O2
Molecular Weight:
249.3089
IUPAC Name:
tert-butyl 2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
InChI:
InChI=1S/C13H19N3O2/c1-9-14-7-10-8-16(6-5-11(10)15-9)12(17)18-13(2,3)4/h7H,5-6,8H2,1-4H3
InChI Key:
MFFOVBHZCZAHIG-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)cnc(n2)C)OC(C)(C)C
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.148g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.314g/mol
Monoisotopic Mass:
249.148g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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