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137279-29-9 molecular structure
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2-(ethylamino)pyrimidine-5-carbaldehyde

ChemBase ID: 307912
Molecular Formular: C7H9N3O
Molecular Mass: 151.16586
Monoisotopic Mass: 151.07456192
SMILES and InChIs

SMILES:
c1(ncc(cn1)C=O)NCC
Canonical SMILES:
CCNc1ncc(cn1)C=O
InChI:
InChI=1S/C7H9N3O/c1-2-8-7-9-3-6(5-11)4-10-7/h3-5H,2H2,1H3,(H,8,9,10)
InChIKey:
FFFRZFQWAMMSTB-UHFFFAOYSA-N

Cite this record

CBID:307912 http://www.chembase.cn/molecule-307912.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(ethylamino)pyrimidine-5-carbaldehyde
IUPAC Traditional name
2-(ethylamino)pyrimidine-5-carbaldehyde
Synonyms
2-(ethylamino)pyrimidine-5-carbaldehyde
CAS Number
137279-29-9
MDL Number
MFCD09864414

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.27043548  LogD (pH = 7.4) 0.2706077 
Log P 0.27060992  Molar Refractivity 44.1947 cm3
Polarizability 15.280961 Å3 Polar Surface Area 54.88 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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