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301319-88-0 molecular structure
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methyl 4-(3-hydroxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

ChemBase ID: 311130
Molecular Formular: C14H16N2O4
Molecular Mass: 276.28784
Monoisotopic Mass: 276.111007
SMILES and InChIs

SMILES:
C1(=C(N(C(=O)NC1c1cc(O)ccc1)C)C)C(=O)OC
Canonical SMILES:
COC(=O)C1=C(C)N(C(=O)NC1c1cccc(c1)O)C
InChI:
InChI=1S/C14H16N2O4/c1-8-11(13(18)20-3)12(15-14(19)16(8)2)9-5-4-6-10(17)7-9/h4-7,12,17H,1-3H3,(H,15,19)
InChIKey:
APTLCCHLQRUOLE-UHFFFAOYSA-N

Cite this record

CBID:311130 http://www.chembase.cn/molecule-311130.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 4-(3-hydroxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
IUPAC Traditional name
methyl 4-(3-hydroxyphenyl)-1,6-dimethyl-2-oxo-3,4-dihydropyrimidine-5-carboxylate
Synonyms
methyl 4-(3-hydroxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CAS Number
301319-88-0
MDL Number
MFCD00718126

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.8035493  LogD (pH = 7.4) 0.799193 
Log P 0.80360514  Molar Refractivity 73.5629 cm3
Polarizability 27.844337 Å3 Polar Surface Area 78.87 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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