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1000386-01-5,MFCD09999172
Catalog No.:AA0000JX
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
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Technical Information
Catalog Number:
AA0000JX
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
Computed 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  

Synonyms
 
1000386-01-5 
tert-Butyl 2-amino-4-oxo-3,4,7,8-tetrahydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate 
DA-16594 
AJ-132372 
AX8257301 
FT-0720432 
Z-6502 
Z-8773 
Z-8774 
2-Amino-6-Boc-4-oxo-3,5,7,8-tetrahydro-4H-pyrido[4,3-dpyrimidine 
6(4H)-Boc-2-amino-3,5,7,8-tetrahydro-4-oxo-pyrido[4,3-d]pyrimidine 
tert-Butyl 2-amino-4-hydroxy-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate 
2-Amino-4-hydroxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid tert-butyl ester 
tert-Butyl 2-amino-4-oxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6(4H)-carboxylate 
tert-butyl 2-amino-4-oxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylate 
2-Amino-4-oxo-3,5,7,8-tetrahydro-4H-pyrido[4,3-d]pyrimidine-6-carboxylic acid tert-butyl ester 
Pyrido[4,3-d]pyrimidine-6(4H)-carboxylic acid, 2-amino-3,5,7,8-tetrahydro-4-oxo-, 1,1-dimethylethyl ester 
C12H18N4O3 
2-Amino-6-Boc-4-oxo-3,5,7,8-tetrahydro-4H-pyrido[4,3-d]pyrimidine 
2-Amino-4-oxo-1,5,7,8-tetrahydro-4H-pyrido[4,3-d]pyrimidine-6-carboxylic acid tert-butyl ester 
SCHEMBL13246138 
DTXSID60744059 
BNNJUQHXJUNHCU-UHFFFAOYSA-N 
4549AJ 
ZINC95093278 
FCH1743651 
Literature
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