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14168-08-2 | Cyclopentanemethanol, 3-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-, cis- (9CI)
CAS No: 14168-08-2 Catalog No: AG001GW6 MDL No:
Product Description
Catalog Number:
AG001GW6
Chemical Name:
Cyclopentanemethanol, 3-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-, cis- (9CI)
CAS Number:
14168-08-2
Molecular Formula:
C12H16N4O
Molecular Weight:
232.2816
IUPAC Name:
[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methanol
InChI:
InChI=1S/C12H16N4O/c13-11-10-3-4-16(12(10)15-7-14-11)9-2-1-8(5-9)6-17/h3-4,7-9,17H,1-2,5-6H2,(H2,13,14,15)
InChI Key:
XVEJYMVNCBBYQY-UHFFFAOYSA-N
SMILES:
OC[C@H]1CC[C@H](C1)n1ccc2c1ncnc2N
NSC Number:
104474
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.132g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.287g/mol
Monoisotopic Mass:
232.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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