2-(hydroxymethyl)-4-[(2-methylpropyl)amino]-3-{[2-(phenoxymethyl)pyrimidin-4-yl]methyl}cyclopentan-1-ol
AlkaPlorer ID: AK244248
Synonym: None
IUPAC Name: (1R,2S,3R,4R)-2-(hydroxymethyl)-4-(2-methylpropylamino)-3-[[2-(phenoxymethyl)pyrimidin-4-yl]methyl]cyclopentan-1-ol
Structure
SMILES: CC(C)CN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1CC1=CC=NC(COC2=CC=CC=C2)=N1
InChI: InChI=1S/C22H31N3O3/c1-15(2)12-24-20-11-21(27)19(13-26)18(20)10-16-8-9-23-22(25-16)14-28-17-6-4-3-5-7-17/h3-9,15,18-21,24,26-27H,10-14H2,1-2H3/t18-,19-,20-,21-/m1/s1
InChIKey: JFNJURZZYRJCMV-XRXFAXGQSA-N
Source
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Properties Information
Molecule Weight: 385.5080000000001
TPSA？: 87.5
MolLogP？: 2.2016
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 3
Activities Information
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