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CAS No.: | 888504-27-6 |
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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: | |
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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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
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 .