Home Carboxys 1-Piperazinecarboxylic acid, 4-[(5R)-6,7-dihydro-5-methyl-7-oxo-5H-cyclopentapyrimidin-4-yl]-, 1,1-dimethylethyl ester

1-Piperazinecarboxylic acid, 4-[(5R)-6,7-dihydro-5-methyl-7-oxo-5H-cyclopentapyrimidin-4-yl]-, 1,1-dimethylethyl ester

CAS No.:
1001180-21-7
Catalog Number:
AG0000ZS
Molecular Formula:
C17H24N4O3
Molecular Weight:
332.3975
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Product Description
Catalog Number:
AG0000ZS
Chemical Name:
1-Piperazinecarboxylic acid, 4-[(5R)-6,7-dihydro-5-methyl-7-oxo-5H-cyclopentapyrimidin-4-yl]-, 1,1-dimethylethyl ester
CAS Number:
1001180-21-7
Molecular Formula:
C17H24N4O3
Molecular Weight:
332.3975
MDL Number:
MFCD28987390
IUPAC Name:
tert-butyl 4-(5-methyl-7-oxo-5,6-dihydrocyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxylate
InChI:
InChI=1S/C17H24N4O3/c1-11-9-12(22)14-13(11)15(19-10-18-14)20-5-7-21(8-6-20)16(23)24-17(2,3)4/h10-11H,5-9H2,1-4H3
InChI Key:
FYSLHZSJYXKKMC-UHFFFAOYSA-N
SMILES:
C[C@@H]1CC(=O)c2c1c(ncn2)N1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
497  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.185g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.404g/mol
Monoisotopic Mass:
332.185g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties