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1040662-63-2 | 6-Chloro-1-methyl-4-piperidin-1-yl-1H-pyrazolo[3,4-d]pyrimidine
CAS No: 1040662-63-2 Catalog No: AG01FMOD MDL No:MFCD11518860
Product Description
Catalog Number:
AG01FMOD
Chemical Name:
6-Chloro-1-methyl-4-piperidin-1-yl-1H-pyrazolo[3,4-d]pyrimidine
CAS Number:
1040662-63-2
Molecular Formula:
C11H14ClN5
Molecular Weight:
251.7154
MDL Number:
MFCD11518860
IUPAC Name:
6-chloro-1-methyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidine
InChI:
InChI=1S/C11H14ClN5/c1-16-9-8(7-13-16)10(15-11(12)14-9)17-5-3-2-4-6-17/h7H,2-6H2,1H3
InChI Key:
RQOOYEYIAIZUFG-UHFFFAOYSA-N
SMILES:
Clc1nc(N2CCCCC2)c2c(n1)n(C)nc2
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.094g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.718g/mol
Monoisotopic Mass:
251.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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