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N-(thiophen-3-ylmethyl)-9H-purin-6-amine

ChemBase ID: 341610
Molecular Formular: C10H9N5S
Molecular Mass: 231.27696
Monoisotopic Mass: 231.05786631
SMILES and InChIs

SMILES:
c12c([nH]cn1)ncnc2NCc1cscc1
Canonical SMILES:
c1scc(c1)CNc1ncnc2c1nc[nH]2
InChI:
InChI=1S/C10H9N5S/c1-2-16-4-7(1)3-11-9-8-10(13-5-12-8)15-6-14-9/h1-2,4-6H,3H2,(H2,11,12,13,14,15)
InChIKey:
YSANEOBAJIAOIO-UHFFFAOYSA-N

Cite this record

CBID:341610 http://www.chembase.cn/molecule-341610.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(thiophen-3-ylmethyl)-9H-purin-6-amine
IUPAC Traditional name
N-(thiophen-3-ylmethyl)-9H-purin-6-amine
Synonyms
N-(3-thienylmethyl)-9H-purin-6-amine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 14043744 external link Add to cart
Data Source Data ID Price
ChemBridge
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
LogD (pH = 7.4) 1.2702233  Log P 1.2756064 
Molar Refractivity 63.8111 cm3 Polarizability 23.437815 Å3
Polar Surface Area 66.49 Å2 Rotatable Bonds
Lipinski's Rule of Five true  Acid pKa 9.867643 
H Acceptors H Donor
LogD (pH = 5.5) 1.1419225 
Log P 1.78  LOG S -2.4 
Polar Surface Area 66.49 Å2 Rotatable Bonds
H Acceptors H Donor

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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