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255869-27-3 molecular structure
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6-methyl-2-phenyl-5-(prop-2-en-1-yl)pyrimidin-4-ol

ChemBase ID: 795948
Molecular Formular: C14H14N2O
Molecular Mass: 226.27376
Monoisotopic Mass: 226.11061308
SMILES and InChIs

SMILES:
c1(c(nc(nc1C)c1ccccc1)O)CC=C
Canonical SMILES:
C=CCc1c(C)nc(nc1O)c1ccccc1
InChI:
InChI=1S/C14H14N2O/c1-3-7-12-10(2)15-13(16-14(12)17)11-8-5-4-6-9-11/h3-6,8-9H,1,7H2,2H3,(H,15,16,17)
InChIKey:
YFZLXQQUPPACGT-UHFFFAOYSA-N

Cite this record

CBID:795948 http://www.chembase.cn/molecule-795948.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-methyl-2-phenyl-5-(prop-2-en-1-yl)pyrimidin-4-ol
IUPAC Traditional name
6-methyl-2-phenyl-5-(prop-2-en-1-yl)pyrimidin-4-ol
Synonyms
5-allyl-6-methyl-2-phenylpyrimidin-4-ol
CAS Number
255869-27-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O1150 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.929804  H Acceptors
H Donor LogD (pH = 5.5) 4.027894 
LogD (pH = 7.4) 4.027902  Log P 4.027915 
Molar Refractivity 79.3066 cm3 Polarizability 26.490002 Å3
Polar Surface Area 46.01 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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