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AA00617

1000386-01-5 | 2-Amino-4-oxo-1,5,7,8-tetrahydro-4h-pyrido[4,3-d]pyrimidine-6-carboxylic acid tert-butyl ester

Packsize Purity Availability Price Discounted Price    Quantity
1g 95% In Stock US $1,151.00 $806.00 -   +

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Description
Catalog Number: AA00617
Chemical Name: 2-Amino-4-oxo-1,5,7,8-tetrahydro-4h-pyrido[4,3-d]pyrimidine-6-carboxylic acid tert-butyl 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
InChl: 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)
InChl Key: BNNJUQHXJUNHCU-UHFFFAOYSA-N
SMILES: O=C(N1CCc2c(C1)c(=O)[nH]c(n2)N)OC(C)(C)C

 

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  

 

 

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