Home Carboxys Pyrido[3,4-d]pyrimidine-7(6H)-carboxylic acid, 2-amino-5,8-dihydro-, 1,1-dimethylethyl ester

Pyrido[3,4-d]pyrimidine-7(6H)-carboxylic acid, 2-amino-5,8-dihydro-, 1,1-dimethylethyl ester

CAS No.:
1395079-01-2
Catalog Number:
AG001B5R
Molecular Formula:
C12H18N4O2
Molecular Weight:
250.2969
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Product Description
Catalog Number:
AG001B5R
Chemical Name:
Pyrido[3,4-d]pyrimidine-7(6H)-carboxylic acid, 2-amino-5,8-dihydro-, 1,1-dimethylethyl ester
CAS Number:
1395079-01-2
Molecular Formula:
C12H18N4O2
Molecular Weight:
250.2969
MDL Number:
MFCD22565681
IUPAC Name:
tert-butyl 2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
InChI:
InChI=1S/C12H18N4O2/c1-12(2,3)18-11(17)16-5-4-8-6-14-10(13)15-9(8)7-16/h6H,4-5,7H2,1-3H3,(H2,13,14,15)
InChI Key:
NAGPTLKYUQPBNW-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)nc(nc2)N)OC(C)(C)C
Properties
Complexity:
316  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.143g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
250.302g/mol
Monoisotopic Mass:
250.143g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties