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1374639-77-6 | 7H-Pyrrolo[2,3-d]pyrimidine-6-methanol, 2-chloro-7-cyclopentyl-
CAS No: 1374639-77-6 Catalog No: AG0013AK MDL No:MFCD29072793
Product Description
Catalog Number:
AG0013AK
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine-6-methanol, 2-chloro-7-cyclopentyl-
CAS Number:
1374639-77-6
Molecular Formula:
C12H14ClN3O
Molecular Weight:
251.7121
MDL Number:
MFCD29072793
IUPAC Name:
(2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidin-6-yl)methanol
InChI:
InChI=1S/C12H14ClN3O/c13-12-14-6-8-5-10(7-17)16(11(8)15-12)9-3-1-2-4-9/h5-6,9,17H,1-4,7H2
InChI Key:
ADHCEFBFOBDYEC-UHFFFAOYSA-N
SMILES:
OCc1cc2c(n1C1CCCC1)nc(nc2)Cl
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.083g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.714g/mol
Monoisotopic Mass:
251.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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