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1417788-96-5 | 4-Pyrimidinamine, N-ethyl-2-[(3R)-3-piperidinyloxy]-, hydrochloride (1:1)
CAS No: 1417788-96-5 Catalog No: AG001H27 MDL No:
Product Description
Catalog Number:
AG001H27
Chemical Name:
4-Pyrimidinamine, N-ethyl-2-[(3R)-3-piperidinyloxy]-, hydrochloride (1:1)
CAS Number:
1417788-96-5
Molecular Formula:
C11H19ClN4O
Molecular Weight:
258.7478
IUPAC Name:
N-ethyl-2-[(3R)-piperidin-3-yl]oxypyrimidin-4-amine;hydrochloride
InChI:
InChI=1S/C11H18N4O.ClH/c1-2-13-10-5-7-14-11(15-10)16-9-4-3-6-12-8-9;/h5,7,9,12H,2-4,6,8H2,1H3,(H,13,14,15);1H/t9-;/m1./s1
InChI Key:
JLXRNISGEXQMTE-SBSPUUFOSA-N
SMILES:
CCNc1ccnc(n1)O[C@@H]1CCCNC1.Cl
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
258.125g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
258.75g/mol
Monoisotopic Mass:
258.125g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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