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122624-77-5 | 2-Cyclopentene-1-methanol, 4-[(2,5-diamino-6-chloro-4-pyrimidinyl)amino]-, (1R,4S)-rel-
CAS No: 122624-77-5 Catalog No: AG0017KC MDL No:
Product Description
Catalog Number:
AG0017KC
Chemical Name:
2-Cyclopentene-1-methanol, 4-[(2,5-diamino-6-chloro-4-pyrimidinyl)amino]-, (1R,4S)-rel-
CAS Number:
122624-77-5
Molecular Formula:
C10H14ClN5O
Molecular Weight:
255.7041
IUPAC Name:
[(1R,4S)-4-[(2,5-diamino-6-chloropyrimidin-4-yl)amino]cyclopent-2-en-1-yl]methanol
InChI:
InChI=1S/C10H14ClN5O/c11-8-7(12)9(16-10(13)15-8)14-6-2-1-5(3-6)4-17/h1-2,5-6,17H,3-4,12H2,(H3,13,14,15,16)/t5-,6+/m0/s1
InChI Key:
RNURTQFRFNOOPJ-NTSWFWBYSA-N
SMILES:
OC[C@H]1C=C[C@H](C1)Nc1nc(N)nc(c1N)Cl
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
255.089g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
255.706g/mol
Monoisotopic Mass:
255.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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