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1001178-90-0 | 1-Piperazinecarboxylic acid, 4-[(5R)-6,7-dihydro-5-methyl-5H-cyclopentapyrimidin-4-yl]-, 1,1-dimethylethyl ester
CAS No: 1001178-90-0 Catalog No: AG0000ZT MDL No:MFCD18072119
Product Description
Catalog Number:
AG0000ZT
Chemical Name:
1-Piperazinecarboxylic acid, 4-[(5R)-6,7-dihydro-5-methyl-5H-cyclopentapyrimidin-4-yl]-, 1,1-dimethylethyl ester
CAS Number:
1001178-90-0
Molecular Formula:
C17H26N4O2
Molecular Weight:
318.4139
MDL Number:
MFCD18072119
IUPAC Name:
tert-butyl 4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazine-1-carboxylate
InChI:
InChI=1S/C17H26N4O2/c1-12-5-6-13-14(12)15(19-11-18-13)20-7-9-21(10-8-20)16(22)23-17(2,3)4/h11-12H,5-10H2,1-4H3/t12-/m1/s1
InChI Key:
OQNVHLKAUNZNED-GFCCVEGCSA-N
SMILES:
O=C(N1CCN(CC1)c1ncnc2c1[C@H](C)CC2)OC(C)(C)C
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
318.206g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.421g/mol
Monoisotopic Mass:
318.206g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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