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162254262 molecular structure
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5-(ethoxymethyl)-2-methylpyrimidin-4-amine

ChemBase ID: 160127
Molecular Formular: C8H13N3O
Molecular Mass: 167.20832
Monoisotopic Mass: 167.10586205
SMILES and InChIs

SMILES:
c1(nc(c(cn1)COCC)N)C
Canonical SMILES:
CCOCc1cnc(nc1N)C
InChI:
InChI=1S/C8H13N3O/c1-3-12-5-7-4-10-6(2)11-8(7)9/h4H,3,5H2,1-2H3,(H2,9,10,11)
InChIKey:
KEYFHYRXUHGMLW-UHFFFAOYSA-N

Cite this record

CBID:160127 http://www.chembase.cn/molecule-160127.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(ethoxymethyl)-2-methylpyrimidin-4-amine
IUPAC Traditional name
5-(ethoxymethyl)-2-methylpyrimidin-4-amine
Synonyms
5-Ethoxymethyl-2-methyl-4-pyrimidinamine
4-Amino-5-ethoxymethyl-2-methylpyrimidine
PubChem SID
162254262
PubChem CID
66149

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC A609035 external link Add to cart
PubChem 66149 external link
Data Source Data ID Price
TRC
A609035 external link Add to cart Please log in.
Data Source Data ID
PubChem 66149 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.16528371  LogD (pH = 7.4) 0.5377182 
Log P 0.5622165  Molar Refractivity 48.6763 cm3
Polarizability 17.66064 Å3 Polar Surface Area 61.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Dichloromethane expand Show data source
Methanol expand Show data source
Apperance
Off-white Solid expand Show data source
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - A609035 external link
A pyrimidine derivative as G protein-coupled receptor kinase (GRK) inhibitor.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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