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1221688-88-5 | 7H-Pyrrolo[2,3-d]pyrimidine, 2-chloro-7-ethyl-4-(4-morpholinyl)-
CAS No: 1221688-88-5 Catalog No: AG0016VC MDL No:
Product Description
Catalog Number:
AG0016VC
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine, 2-chloro-7-ethyl-4-(4-morpholinyl)-
CAS Number:
1221688-88-5
Molecular Formula:
C12H15ClN4O
Molecular Weight:
266.7267
IUPAC Name:
4-(2-chloro-7-ethylpyrrolo[2,3-d]pyrimidin-4-yl)morpholine
InChI:
InChI=1S/C12H15ClN4O/c1-2-16-4-3-9-10(16)14-12(13)15-11(9)17-5-7-18-8-6-17/h3-4H,2,5-8H2,1H3
InChI Key:
IHNJNKBWFPYTQH-UHFFFAOYSA-N
SMILES:
CCn1ccc2c1nc(Cl)nc2N1CCOCC1
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.729g/mol
Monoisotopic Mass:
266.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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