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331808-99-2 molecular structure
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2-(diethoxymethyl)pyrimidin-5-amine

ChemBase ID: 806388
Molecular Formular: C9H15N3O2
Molecular Mass: 197.2343
Monoisotopic Mass: 197.11642674
SMILES and InChIs

SMILES:
c1(cnc(nc1)C(OCC)OCC)N
Canonical SMILES:
CCOC(c1ncc(cn1)N)OCC
InChI:
InChI=1S/C9H15N3O2/c1-3-13-9(14-4-2)8-11-5-7(10)6-12-8/h5-6,9H,3-4,10H2,1-2H3
InChIKey:
WJJCXYQMOAIWNE-UHFFFAOYSA-N

Cite this record

CBID:806388 http://www.chembase.cn/molecule-806388.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(diethoxymethyl)pyrimidin-5-amine
IUPAC Traditional name
2-(diethoxymethyl)pyrimidin-5-amine
Synonyms
2-(DIETHOXYMETHYL)PYRIMIDIN-5-AMINE
CAS Number
331808-99-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O23988 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O23988 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.5110874  LogD (pH = 7.4) 0.511088 
Log P 0.511088  Molar Refractivity 53.9473 cm3
Polarizability 20.294851 Å3 Polar Surface Area 70.26 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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