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1060817-07-3 molecular structure
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4-ethoxy-5-ethyl-6-methylpyrimidin-2-amine

ChemBase ID: 308082
Molecular Formular: C9H15N3O
Molecular Mass: 181.2349
Monoisotopic Mass: 181.12151212
SMILES and InChIs

SMILES:
n1c(c(c(nc1N)C)CC)OCC
Canonical SMILES:
CCOc1nc(N)nc(c1CC)C
InChI:
InChI=1S/C9H15N3O/c1-4-7-6(3)11-9(10)12-8(7)13-5-2/h4-5H2,1-3H3,(H2,10,11,12)
InChIKey:
UKWHWWMGNUOABG-UHFFFAOYSA-N

Cite this record

CBID:308082 http://www.chembase.cn/molecule-308082.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-ethoxy-5-ethyl-6-methylpyrimidin-2-amine
IUPAC Traditional name
4-ethoxy-5-ethyl-6-methylpyrimidin-2-amine
Synonyms
4-ethoxy-5-ethyl-6-methyl-2-pyrimidinamine
CAS Number
1060817-07-3
MDL Number
MFCD11053910

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5078697  LogD (pH = 7.4) 1.7777039 
Log P 1.78255  Molar Refractivity 53.1277 cm3
Polarizability 19.416414 Å3 Polar Surface Area 61.03 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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