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16019-30-0 molecular structure
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6-hydroxy-5-(prop-2-en-1-yl)-3,4-dihydropyrimidin-4-one

ChemBase ID: 795945
Molecular Formular: C7H8N2O2
Molecular Mass: 152.15062
Monoisotopic Mass: 152.05857751
SMILES and InChIs

SMILES:
c1(c(=O)[nH]cnc1O)CC=C
Canonical SMILES:
Oc1nc[nH]c(=O)c1CC=C
InChI:
InChI=1S/C7H8N2O2/c1-2-3-5-6(10)8-4-9-7(5)11/h2,4H,1,3H2,(H2,8,9,10,11)
InChIKey:
QWYRCXSPNDGEAQ-UHFFFAOYSA-N

Cite this record

CBID:795945 http://www.chembase.cn/molecule-795945.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-hydroxy-5-(prop-2-en-1-yl)-3,4-dihydropyrimidin-4-one
IUPAC Traditional name
6-hydroxy-5-(prop-2-en-1-yl)-3H-pyrimidin-4-one
Synonyms
5-allyl-6-hydroxypyrimidin-4(3H)-one
CAS Number
16019-30-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O1146 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O1146 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.570137  H Acceptors
H Donor LogD (pH = 5.5) 0.5553145 
LogD (pH = 7.4) 0.32905397  Log P 0.55889875 
Molar Refractivity 49.7409 cm3 Polarizability 15.002584 Å3
Polar Surface Area 61.69 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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