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1395493-24-9 | Pyrido[3,4-d]pyrimidine-7(6H)-carboxylic acid, 2-(1,1-dimethylethyl)-5,8-dihydro-, 1,1-dimethylethyl ester
CAS No: 1395493-24-9 Catalog No: AG001B8R MDL No:
Product Description
Catalog Number:
AG001B8R
Chemical Name:
Pyrido[3,4-d]pyrimidine-7(6H)-carboxylic acid, 2-(1,1-dimethylethyl)-5,8-dihydro-, 1,1-dimethylethyl ester
CAS Number:
1395493-24-9
Molecular Formula:
C16H25N3O2
Molecular Weight:
291.3886
IUPAC Name:
tert-butyl 2-tert-butyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
InChI:
InChI=1S/C16H25N3O2/c1-15(2,3)13-17-9-11-7-8-19(10-12(11)18-13)14(20)21-16(4,5)6/h9H,7-8,10H2,1-6H3
InChI Key:
VYXJCFADTXJAOY-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)nc(nc2)C(C)(C)C)OC(C)(C)C
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.195g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.395g/mol
Monoisotopic Mass:
291.195g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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