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31058-81-8 molecular structure
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2-chloro-N,N-dimethylpyrimidin-4-amine

ChemBase ID: 164213
Molecular Formular: C6H8ClN3
Molecular Mass: 157.60082
Monoisotopic Mass: 157.04067495
SMILES and InChIs

SMILES:
c1(nccc(n1)N(C)C)Cl
Canonical SMILES:
Clc1nccc(n1)N(C)C
InChI:
InChI=1S/C6H8ClN3/c1-10(2)5-3-4-8-6(7)9-5/h3-4H,1-2H3
InChIKey:
MTEQLYDOCFPCAX-UHFFFAOYSA-N

Cite this record

CBID:164213 http://www.chembase.cn/molecule-164213.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-N,N-dimethylpyrimidin-4-amine
IUPAC Traditional name
2-chloro-N,N-dimethylpyrimidin-4-amine
Synonyms
(2-Chloropyrimidin-4-yl)dimethylamine
NSC 45769
2-Chloro-4-(N,N-dimethylamino)pyrimidine
2-chloro-N,N-dimethylpyrimidin-4-amine
2-chloro-N,N-dimethyl-4-pyrimidinamine
CAS Number
31058-81-8
MDL Number
MFCD00129722
PubChem SID
162258348
PubChem CID
95975

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6602287  LogD (pH = 7.4) 1.6607802 
Log P 1.6607872  Molar Refractivity 42.963 cm3
Polarizability 15.387617 Å3 Polar Surface Area 29.02 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
Ethyl Acetate expand Show data source
Methanol expand Show data source
Apperance
White Solid expand Show data source
Melting Point
77-79°C expand Show data source
79 - 81°C expand Show data source
Hydrophobicity(logP)
1.34 expand Show data source
Storage Condition
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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