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1246471-35-1 | Pyrido[3,2-d]pyrimidine-5(6H)-carboxylic acid, 2-(dimethylamino)-7,8-dihydro-, 1,1-dimethylethyl ester
CAS No: 1246471-35-1 Catalog No: AG000MIQ MDL No:MFCD17171379
Product Description
Catalog Number:
AG000MIQ
Chemical Name:
Pyrido[3,2-d]pyrimidine-5(6H)-carboxylic acid, 2-(dimethylamino)-7,8-dihydro-, 1,1-dimethylethyl ester
CAS Number:
1246471-35-1
Molecular Formula:
C14H22N4O2
Molecular Weight:
278.3501
MDL Number:
MFCD17171379
IUPAC Name:
tert-butyl 2-(dimethylamino)-7,8-dihydro-6H-pyrido[3,2-d]pyrimidine-5-carboxylate
InChI:
InChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-8-6-7-10-11(18)9-15-12(16-10)17(4)5/h9H,6-8H2,1-5H3
InChI Key:
HYNIRPKNJWNMRB-UHFFFAOYSA-N
SMILES:
O=C(N1CCCc2c1cnc(n2)N(C)C)OC(C)(C)C
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.174g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.356g/mol
Monoisotopic Mass:
278.174g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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