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675-12-7 molecular structure
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2,6-difluoropyrimidin-4-amine

ChemBase ID: 294441
Molecular Formular: C4H3F2N3
Molecular Mass: 131.0835264
Monoisotopic Mass: 131.02950355
SMILES and InChIs

SMILES:
Nc1cc(F)nc(F)n1
Canonical SMILES:
Nc1cc(F)nc(n1)F
InChI:
InChI=1S/C4H3F2N3/c5-2-1-3(7)9-4(6)8-2/h1H,(H2,7,8,9)
InChIKey:
BBASDBMEDBTAHV-UHFFFAOYSA-N

Cite this record

CBID:294441 http://www.chembase.cn/molecule-294441.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-difluoropyrimidin-4-amine
IUPAC Traditional name
2,6-difluoropyrimidin-4-amine
Synonyms
2,6-Difluoropyrimidin-4-amine
CAS Number
675-12-7
MDL Number
MFCD00457061
PubChem SID
180679972
PubChem CID
582916

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD9395 Please log in.
Data Source Data ID
PubChem 582916 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.40324  H Acceptors
H Donor LogD (pH = 5.5) 0.9728607 
LogD (pH = 7.4) 0.97286075  Log P 0.97286075 
Molar Refractivity 29.8309 cm3 Polarizability 9.370103 Å3
Polar Surface Area 51.8 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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