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33443-58-2 molecular structure
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1-benzyl-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

ChemBase ID: 309392
Molecular Formular: C12H12N2O2
Molecular Mass: 216.23588
Monoisotopic Mass: 216.08987763
SMILES and InChIs

SMILES:
c1(=O)n(c(cc(=O)[nH]1)C)Cc1ccccc1
Canonical SMILES:
O=c1cc(C)n(c(=O)[nH]1)Cc1ccccc1
InChI:
InChI=1S/C12H12N2O2/c1-9-7-11(15)13-12(16)14(9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,13,15,16)
InChIKey:
LXRVJHIISSYWEJ-UHFFFAOYSA-N

Cite this record

CBID:309392 http://www.chembase.cn/molecule-309392.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-benzyl-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
IUPAC Traditional name
1-benzyl-6-methyl-3H-pyrimidine-2,4-dione
Synonyms
1-benzyl-6-methyl-2,4(1H,3H)-pyrimidinedione
CAS Number
33443-58-2
MDL Number
MFCD00452852

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.2949246  LogD (pH = 7.4) 1.2944367 
Log P 1.2949309  Molar Refractivity 61.2977 cm3
Polarizability 22.825127 Å3 Polar Surface Area 49.41 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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