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0B4

Summary
Name:(6S)-2-amino-3,6-dimethyl-6-[(1R,2R)-2-phenylcyclopropyl]-5,6-dihydropyrimidin-4(3H)-one
Formula:C15 H19 N3 O
Formal charge:0
Formula weight:257.331 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(6S)-2-amino-3,6-dimethyl-6-[(1R,2R)-2-phenylcyclopropyl]-5,6-dihydropyrimidin-4(3H)-one
OpenEye OEToolkits1.7.6(6S)-2-azanyl-3,6-dimethyl-6-[(1R,2R)-2-phenylcyclopropyl]-5H-pyrimidin-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C3N(C(=NC(C2CC2c1ccccc1)(C3)C)N)C
InChIInChI1.03InChI=1S/C15H19N3O/c1-15(9-13(19)18(2)14(16)17-15)12-8-11(12)10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3,(H2,16,17)/t11-,12+,15-/m0/s1
InChIKeyInChI1.03YBXYDJCRBQOXMI-ZOWXZIJZSA-N
SMILES_CANONICALCACTVS3.385CN1C(=O)C[C@](C)(N=C1N)[C@@H]2C[C@H]2c3ccccc3
SMILESCACTVS3.385CN1C(=O)C[C](C)(N=C1N)[CH]2C[CH]2c3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.7.6C[C@]1(CC(=O)N(C(=N1)N)C)[C@@H]2C[C@H]2c3ccccc3
SMILESOpenEye OEToolkits1.7.6CC1(CC(=O)N(C(=N1)N)C)C2CC2c3ccccc3

225158

PDB entries from 2024-09-18

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