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1417789-16-2 | 4-Pyrimidinamine, N-ethyl-2-[(3S)-3-pyrrolidinyloxy]-, hydrochloride (1:1)
CAS No: 1417789-16-2 Catalog No: AG001H1Z MDL No:
Product Description
Catalog Number:
AG001H1Z
Chemical Name:
4-Pyrimidinamine, N-ethyl-2-[(3S)-3-pyrrolidinyloxy]-, hydrochloride (1:1)
CAS Number:
1417789-16-2
Molecular Formula:
C10H17ClN4O
Molecular Weight:
244.7212
IUPAC Name:
N-ethyl-2-[(3S)-pyrrolidin-3-yl]oxypyrimidin-4-amine;hydrochloride
InChI:
InChI=1S/C10H16N4O.ClH/c1-2-12-9-4-6-13-10(14-9)15-8-3-5-11-7-8;/h4,6,8,11H,2-3,5,7H2,1H3,(H,12,13,14);1H/t8-;/m0./s1
InChI Key:
XWHXCFSVIXTMJI-QRPNPIFTSA-N
SMILES:
CCNc1ccnc(n1)O[C@@H]1CNCC1.Cl
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
244.109g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
244.723g/mol
Monoisotopic Mass:
244.109g/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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