-
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
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
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
|
3
|
H Donor
|
2
|
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)
PATENTS
PATENTS
PubChem Patent
Google Patent