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2-[4-(cyclopentylmethyl)piperazin-1-yl]-5-fluoropyrimidin-4-ol

ChemBase ID: 865835
Molecular Formular: C14H21FN4O
Molecular Mass: 280.3411432
Monoisotopic Mass: 280.16993953
SMILES and InChIs

SMILES:
n1c(N2CCN(CC3CCCC3)CC2)ncc(c1O)F
Canonical SMILES:
Fc1cnc(nc1O)N1CCN(CC1)CC1CCCC1
InChI:
InChI=1S/C14H21FN4O/c15-12-9-16-14(17-13(12)20)19-7-5-18(6-8-19)10-11-3-1-2-4-11/h9,11H,1-8,10H2,(H,16,17,20)
InChIKey:
PSPARVAKUWIDCQ-UHFFFAOYSA-N

Cite this record

CBID:865835 http://www.chembase.cn/molecule-865835.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[4-(cyclopentylmethyl)piperazin-1-yl]-5-fluoropyrimidin-4-ol
IUPAC Traditional name
2-[4-(cyclopentylmethyl)piperazin-1-yl]-5-fluoropyrimidin-4-ol
Synonyms
2-[4-(cyclopentylmethyl)-1-piperazinyl]-5-fluoro-4-pyrimidinol

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 66748339 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)
Acid pKa 11.34587  H Acceptors
H Donor LogD (pH = 5.5) 0.09126501 
LogD (pH = 7.4) 1.8608875  Log P 2.7869937 
Molar Refractivity 76.8018 cm3 Polarizability 28.473885 Å3
Polar Surface Area 52.49 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.35  LOG S -2.24 
Polar Surface Area 52.49 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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