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16290-93-0 molecular structure
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5-methoxy-1,2-dihydropyrimidin-2-one

ChemBase ID: 802198
Molecular Formular: C5H6N2O2
Molecular Mass: 126.11334
Monoisotopic Mass: 126.04292744
SMILES and InChIs

SMILES:
c1(cnc(=O)[nH]c1)OC
Canonical SMILES:
COc1cnc(=O)[nH]c1
InChI:
InChI=1S/C5H6N2O2/c1-9-4-2-6-5(8)7-3-4/h2-3H,1H3,(H,6,7,8)
InChIKey:
UNSHAGBDMCDYEN-UHFFFAOYSA-N

Cite this record

CBID:802198 http://www.chembase.cn/molecule-802198.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-methoxy-1,2-dihydropyrimidin-2-one
IUPAC Traditional name
5-methoxy-1H-pyrimidin-2-one
Synonyms
2(1H)-PYRIMIDINONE, 5-METHOXY-
CAS Number
16290-93-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O18610 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O18610 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.570581  H Acceptors
H Donor LogD (pH = 5.5) -0.7804361 
LogD (pH = 7.4) -0.7829915  Log P -0.78040344 
Molar Refractivity 31.7974 cm3 Polarizability 11.67266 Å3
Polar Surface Area 50.69 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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