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14394-70-8 molecular structure
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2-chloro-5-methylpyrimidin-4-amine

ChemBase ID: 64452
Molecular Formular: C5H6ClN3
Molecular Mass: 143.57424
Monoisotopic Mass: 143.02502489
SMILES and InChIs

SMILES:
n1c(c(cnc1Cl)C)N
Canonical SMILES:
Clc1ncc(c(n1)N)C
InChI:
InChI=1S/C5H6ClN3/c1-3-2-8-5(6)9-4(3)7/h2H,1H3,(H2,7,8,9)
InChIKey:
ZCQWIJBRCXQUNP-UHFFFAOYSA-N

Cite this record

CBID:64452 http://www.chembase.cn/molecule-64452.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-5-methylpyrimidin-4-amine
IUPAC Traditional name
2-chloro-5-methylpyrimidin-4-amine
Synonyms
2-Chloro-5-methyl-4-pyrimidinamine
4-Amino-2-chloro-5-methylpyrimidine, Technical grade >80%
6-Amino-2-Chloro-5-Methyl pyrimidine
2-Chloro-5-methylpyrimidin-4-amine
4-Amino-2-chloro-5-methylpyrimidine
CAS Number
14394-70-8
MDL Number
MFCD02683249
PubChem SID
162030191
PubChem CID
4302175

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.2366902  LogD (pH = 7.4) 1.2372319 
Log P 1.2372388  Molar Refractivity 38.276 cm3
Polarizability 13.485639 Å3 Polar Surface Area 51.8 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
DMSO expand Show data source
Methanol expand Show data source
Apperance
White to Off White Solid expand Show data source
Melting Point
>180°C (dec.) expand Show data source
Storage Condition
-20°C Freezer expand Show data source
Storage Warning
Harmful/Irritant expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
96% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - A603470 external link
Contains up to 20% 4-Chloro-5-methyl-4-pyrimidinamine.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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