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1236285-22-5 | 7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-5-fluoro-7-[1-(5-methyl-2-pyrimidinyl)-4-piperidinyl]-
CAS No: 1236285-22-5 Catalog No: AG000KVX MDL No:
Product Description
Catalog Number:
AG000KVX
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-5-fluoro-7-[1-(5-methyl-2-pyrimidinyl)-4-piperidinyl]-
CAS Number:
1236285-22-5
Molecular Formula:
C16H16ClFN6
Molecular Weight:
346.7898
IUPAC Name:
4-chloro-5-fluoro-7-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidine
InChI:
InChI=1S/C16H16ClFN6/c1-10-6-19-16(20-7-10)23-4-2-11(3-5-23)24-8-12(18)13-14(17)21-9-22-15(13)24/h6-9,11H,2-5H2,1H3
InChI Key:
QUBRFXXBYPZPAN-UHFFFAOYSA-N
SMILES:
Cc1cnc(nc1)N1CCC(CC1)n1cc(c2c1ncnc2Cl)F
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.111g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.794g/mol
Monoisotopic Mass:
346.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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