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162103843 molecular structure
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2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine

ChemBase ID: 71983
Molecular Formular: C10H13ClFN3
Molecular Mass: 229.6817232
Monoisotopic Mass: 229.07820333
SMILES and InChIs

SMILES:
c1nc(nc(c1F)NC1CCCCC1)Cl
Canonical SMILES:
Fc1cnc(nc1NC1CCCCC1)Cl
InChI:
InChI=1S/C10H13ClFN3/c11-10-13-6-8(12)9(15-10)14-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,13,14,15)
InChIKey:
GFWGJIJIONAZTJ-UHFFFAOYSA-N

Cite this record

CBID:71983 http://www.chembase.cn/molecule-71983.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine
IUPAC Traditional name
2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine
Synonyms
2-Chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine
PubChem SID
162103843
PubChem CID
3573094

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 3573094 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 15.580866  H Acceptors
H Donor LogD (pH = 5.5) 2.9674814 
LogD (pH = 7.4) 2.9674938  Log P 2.967494 
Molar Refractivity 59.9588 cm3 Polarizability 21.738968 Å3
Polar Surface Area 37.81 Å2

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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