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14394-56-0 molecular structure
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6-chloro-5-methylpyrimidin-4-amine

ChemBase ID: 286806
Molecular Formular: C5H6ClN3
Molecular Mass: 143.57424
Monoisotopic Mass: 143.02502489
SMILES and InChIs

SMILES:
Cc1c(Cl)ncnc1N
Canonical SMILES:
Cc1c(N)ncnc1Cl
InChI:
InChI=1S/C5H6ClN3/c1-3-4(6)8-2-9-5(3)7/h2H,1H3,(H2,7,8,9)
InChIKey:
JCIGQYDCSFFHPI-UHFFFAOYSA-N

Cite this record

CBID:286806 http://www.chembase.cn/molecule-286806.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-chloro-5-methylpyrimidin-4-amine
IUPAC Traditional name
6-chloro-5-methylpyrimidin-4-amine
Synonyms
4-Amino-6-chloro-5-methylpyrimidine
CAS Number
14394-56-0
MDL Number
MFCD09991585
PubChem SID
180672337
PubChem CID
21934626

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD100202 Please log in.
Data Source Data ID
PubChem 21934626 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.1513009  LogD (pH = 7.4) 1.15289 
Log P 1.1529102  Molar Refractivity 38.6435 cm3
Polarizability 13.42984 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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