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424803-29-2 molecular structure
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5-ethyl-4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-amine

ChemBase ID: 311403
Molecular Formular: C11H18N4
Molecular Mass: 206.28742
Monoisotopic Mass: 206.1531466
SMILES and InChIs

SMILES:
c1(nc(nc(c1CC)C)N)N1CCCC1
Canonical SMILES:
CCc1c(C)nc(nc1N1CCCC1)N
InChI:
InChI=1S/C11H18N4/c1-3-9-8(2)13-11(12)14-10(9)15-6-4-5-7-15/h3-7H2,1-2H3,(H2,12,13,14)
InChIKey:
FPFBRHAVBCYLRI-UHFFFAOYSA-N

Cite this record

CBID:311403 http://www.chembase.cn/molecule-311403.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-ethyl-4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-amine
IUPAC Traditional name
5-ethyl-4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-amine
Synonyms
5-ethyl-4-methyl-6-(1-pyrrolidinyl)-2-pyrimidinamine
CAS Number
424803-29-2
MDL Number
MFCD02215117

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) 0.32812354  LogD (pH = 7.4) 1.5961769 
Log P 2.0972545  Molar Refractivity 63.8855 cm3
Polarizability 22.818712 Å3 Polar Surface Area 55.04 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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