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C27

Summary
Name:(6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one
Formula:C21 H25 N3 O2
Formal charge:0
Formula weight:351.442 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one
OpenEye OEToolkits1.5.0(6R)-2-amino-6-[2-[3-(3-methoxyphenyl)phenyl]ethyl]-3,6-dimethyl-5H-pyrimidin-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C3N(C(=NC(CCc2cccc(c1cccc(OC)c1)c2)(C3)C)N)C
SMILES_CANONICALCACTVS3.341COc1cccc(c1)c2cccc(CC[C@]3(C)CC(=O)N(C)C(=N3)N)c2
SMILESCACTVS3.341COc1cccc(c1)c2cccc(CC[C]3(C)CC(=O)N(C)C(=N3)N)c2
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@]1(CC(=O)N(C(=N1)N)C)CCc2cccc(c2)c3cccc(c3)OC
SMILESOpenEye OEToolkits1.5.0CC1(CC(=O)N(C(=N1)N)C)CCc2cccc(c2)c3cccc(c3)OC
InChIInChI1.03InChI=1S/C21H25N3O2/c1-21(14-19(25)24(2)20(22)23-21)11-10-15-6-4-7-16(12-15)17-8-5-9-18(13-17)26-3/h4-9,12-13H,10-11,14H2,1-3H3,(H2,22,23)/t21-/m1/s1
InChIKeyInChI1.03VDFBMQAUECXNKR-OAQYLSRUSA-N

225158

PDB entries from 2024-09-18

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