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{2-[6-amino-2-(pyrrolidin-1-yl)pyrimidin-4-yl]phenyl}methanol

ChemBase ID: 370442
Molecular Formular: C15H18N4O
Molecular Mass: 270.32962
Monoisotopic Mass: 270.14806122
SMILES and InChIs

SMILES:
c1(nc(cc(n1)c1c(CO)cccc1)N)N1CCCC1
Canonical SMILES:
OCc1ccccc1c1cc(N)nc(n1)N1CCCC1
InChI:
InChI=1S/C15H18N4O/c16-14-9-13(12-6-2-1-5-11(12)10-20)17-15(18-14)19-7-3-4-8-19/h1-2,5-6,9,20H,3-4,7-8,10H2,(H2,16,17,18)
InChIKey:
RFWYQOOYGXJPTJ-UHFFFAOYSA-N

Cite this record

CBID:370442 http://www.chembase.cn/molecule-370442.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
{2-[6-amino-2-(pyrrolidin-1-yl)pyrimidin-4-yl]phenyl}methanol
IUPAC Traditional name
{2-[6-amino-2-(pyrrolidin-1-yl)pyrimidin-4-yl]phenyl}methanol
Synonyms
[2-(6-amino-2-pyrrolidin-1-ylpyrimidin-4-yl)phenyl]methanol

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 18270808 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 15.084165  H Acceptors
H Donor LogD (pH = 5.5) 1.4002705 
LogD (pH = 7.4) 2.2370148  Log P 2.2736204 
Molar Refractivity 81.2319 cm3 Polarizability 30.86175 Å3
Polar Surface Area 75.27 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.98  LOG S -2.86 
Polar Surface Area 75.27 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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