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N-[3-(cyclopentyloxy)propyl]-5,6-dimethylpyrimidin-4-amine

ChemBase ID: 320865
Molecular Formular: C14H23N3O
Molecular Mass: 249.35192
Monoisotopic Mass: 249.18411237
SMILES and InChIs

SMILES:
c1(c(ncnc1C)NCCCOC1CCCC1)C
Canonical SMILES:
Cc1ncnc(c1C)NCCCOC1CCCC1
InChI:
InChI=1S/C14H23N3O/c1-11-12(2)16-10-17-14(11)15-8-5-9-18-13-6-3-4-7-13/h10,13H,3-9H2,1-2H3,(H,15,16,17)
InChIKey:
PFNDHELWNCEUPJ-UHFFFAOYSA-N

Cite this record

CBID:320865 http://www.chembase.cn/molecule-320865.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[3-(cyclopentyloxy)propyl]-5,6-dimethylpyrimidin-4-amine
IUPAC Traditional name
N-[3-(cyclopentyloxy)propyl]-5,6-dimethylpyrimidin-4-amine
Synonyms
N-[3-(cyclopentyloxy)propyl]-5,6-dimethylpyrimidin-4-amine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 11065151 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 1.5780311  LogD (pH = 7.4) 2.1152682 
Log P 2.1294487  Molar Refractivity 75.1844 cm3
Polarizability 27.897419 Å3 Polar Surface Area 47.04 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.99  LOG S -3.29 
Polar Surface Area 47.04 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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