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888504-27-6

Basic Information
CAS No.: 888504-27-6
Name: 4-PYRIMIDINECARBOXYLIC ACID, 1,6-DIHYDRO-5-HYDROXY-1-METHYL-2-[1-METHYL-1-[[(PHENYLMETHOXY)CARBONYL]AMINO]ETHYL]-6-OXO-, METHYL ESTER
Article Data: 11
Molecular Structure:
Molecular Structure of 888504-27-6 (4-PYRIMIDINECARBOXYLIC ACID, 1,6-DIHYDRO-5-HYDROXY-1-METHYL-2-[1-METHYL-1-[[(PHENYLMETHOXY)CARBONYL]AMINO]ETHYL]-6-OXO-, METHYL ESTER)
Formula: C18H21N3O6
Molecular Weight: 375.381
Synonyms: 1,6-Dihydro-5-hydroxy-1-methyl-2-[1-methyl-1-[[(phenylmethoxy)carbonyl]amino]ethyl]-6-oxo-4-pyrimidinecarboxylic acid methyl ester
EINECS: 922-554-0
Density: 1.29 g/cm3
Melting Point: 190-195 °C
Appearance: off-white solid
PSA: 119.75000
LogP: 1.82490
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Chemistry

Product Name: 4-Pyrimidinecarboxylicacid,1,6-dihydro-5-hydroxy-1-methyl-2-[1-methyl-1-[[(phenylmethoxy)carbonyl]amino]ethyl]-6-oxo-,methyl ester (CAS NO.888504-27-6)

Molecular Formula: C18H21N3O6
Molecular Weight: 375.3758g/mol
Mol File: 888504-27-6.mol
Density: 1.29 g/cm3
Surface Tension: 47.3 dyne/cm
XLogP3-AA: 1.8
H-Bond Donor: 2
H-Bond Acceptor: 7
Structure Descriptors of 4-Pyrimidinecarboxylicacid,1,6-dihydro-5-hydroxy-1-methyl-2-[1-methyl-1-[[(phenylmethoxy)carbonyl]amino]ethyl]-6-oxo-,methyl ester (CAS NO.888504-27-6):
  IUPAC Name: benzylN-[2-[(4Z)-4-[hydroxy(methoxy)methylidene]-1-methyl-5,6-dioxopyrimidin-2-yl]propan-2-yl]carbamate
  Canonical SMILES: CC(C)(C1=NC(=C(O)OC)C(=O)C(=O)N1C)NC(=O)OCC2=CC=CC=C2
  Isomeric SMILES: CC(C)(C1=N/C(=C(/O)\OC)/C(=O)C(=O)N1C)NC(=O)OCC2=CC=CC=C2
  InChI: InChI=1S/C18H21N3O6/c1-18(2,20-17(25)27-10-11-8-6-5-7-9-11)16-19-12(15(24)26-4)13(22)14(23)21(16)3/h5-9,24H,10H2,1-4H3,(H,20,25)/b15-12- 
  InChIKey: JVBQPNQDGHKNDQ-QINSGFPZSA-N

Specification

 4-Pyrimidinecarboxylicacid,1,6-dihydro-5-hydroxy-1-methyl-2-[1-methyl-1-[[(phenylmethoxy)carbonyl]amino]ethyl]-6-oxo-,methyl ester , its CAS NO. is 888504-27-6, the synonym is 1,6-Dihydro-5-hydroxy-1-methyl-2-[1-methyl-1-[[benzylcarbamoyl]amino]ethyl]-6-oxo-4-pyrimidinecarboxylic Acid Methyl Ester .