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1000386-01-5 | Pyrido[4,3-d]pyrimidine-6(4H)-carboxylic acid, 2-amino-3,5,7,8-tetrahydro-4-oxo-, 1,1-dimethylethyl ester
CAS No: 1000386-01-5 Catalog No: AG0000MP MDL No:MFCD09999172
Product Description
Catalog Number:
AG0000MP
Chemical Name:
Pyrido[4,3-d]pyrimidine-6(4H)-carboxylic acid, 2-amino-3,5,7,8-tetrahydro-4-oxo-, 1,1-dimethylethyl ester
CAS Number:
1000386-01-5
Molecular Formula:
C12H18N4O3
Molecular Weight:
266.2963
MDL Number:
MFCD09999172
IUPAC Name:
tert-butyl 2-amino-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylate
InChI:
InChI=1S/C12H18N4O3/c1-12(2,3)19-11(18)16-5-4-8-7(6-16)9(17)15-10(13)14-8/h4-6H2,1-3H3,(H3,13,14,15,17)
InChI Key:
BNNJUQHXJUNHCU-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)c(=O)[nH]c(n2)N)OC(C)(C)C
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.138g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.301g/mol
Monoisotopic Mass:
266.138g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
97A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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