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1289130-76-2 molecular structure
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4,6-dichloro-N-methyl-N-(propan-2-yl)pyrimidin-2-amine

ChemBase ID: 796096
Molecular Formular: C8H11Cl2N3
Molecular Mass: 220.09904
Monoisotopic Mass: 219.03300273
SMILES and InChIs

SMILES:
c1c(nc(nc1Cl)N(C)C(C)C)Cl
Canonical SMILES:
CC(N(c1nc(Cl)cc(n1)Cl)C)C
InChI:
InChI=1S/C8H11Cl2N3/c1-5(2)13(3)8-11-6(9)4-7(10)12-8/h4-5H,1-3H3
InChIKey:
ZXNGJNXIJJHKBB-UHFFFAOYSA-N

Cite this record

CBID:796096 http://www.chembase.cn/molecule-796096.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,6-dichloro-N-methyl-N-(propan-2-yl)pyrimidin-2-amine
IUPAC Traditional name
4,6-dichloro-N-isopropyl-N-methylpyrimidin-2-amine
Synonyms
4,6-Dichloro-N-isopropyl-N-MethylpyriMidin-2-aMine
CAS Number
1289130-76-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O1406 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.2583888  LogD (pH = 7.4) 3.258392 
Log P 3.258392  Molar Refractivity 57.9965 cm3
Polarizability 20.98684 Å3 Polar Surface Area 29.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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