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1261231-53-1 | trans-4-(5-Chloro-pyrimidin-2-ylamino)-cyclohexanol
CAS No: 1261231-53-1 Catalog No: AG01F8PV MDL No:
Product Description
Catalog Number:
AG01F8PV
Chemical Name:
trans-4-(5-Chloro-pyrimidin-2-ylamino)-cyclohexanol
CAS Number:
1261231-53-1
Molecular Formula:
C10H14ClN3O
Molecular Weight:
227.6907
IUPAC Name:
4-[(5-chloropyrimidin-2-yl)amino]cyclohexan-1-ol
InChI:
InChI=1S/C10H14ClN3O/c11-7-5-12-10(13-6-7)14-8-1-3-9(15)4-2-8/h5-6,8-9,15H,1-4H2,(H,12,13,14)
InChI Key:
FPQUUVQIMNVUJW-UHFFFAOYSA-N
SMILES:
O[C@@H]1CC[C@H](CC1)Nc1ncc(cn1)Cl
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.083g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.692g/mol
Monoisotopic Mass:
227.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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