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1249603-83-5 molecular structure
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4-chloro-6-(cyclopropylmethoxy)pyrimidine

ChemBase ID: 796750
Molecular Formular: C8H9ClN2O
Molecular Mass: 184.62286
Monoisotopic Mass: 184.0403406
SMILES and InChIs

SMILES:
c1c(ncnc1OCC1CC1)Cl
Canonical SMILES:
Clc1ncnc(c1)OCC1CC1
InChI:
InChI=1S/C8H9ClN2O/c9-7-3-8(11-5-10-7)12-4-6-1-2-6/h3,5-6H,1-2,4H2
InChIKey:
JNNBMKRJHQQLMC-UHFFFAOYSA-N

Cite this record

CBID:796750 http://www.chembase.cn/molecule-796750.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-6-(cyclopropylmethoxy)pyrimidine
IUPAC Traditional name
4-chloro-6-(cyclopropylmethoxy)pyrimidine
Synonyms
4-Chloro-6-(cyclopropylMethoxy)pyriMidine
CAS Number
1249603-83-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O4180 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O4180 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.0913136  LogD (pH = 7.4) 2.0913208 
Log P 2.0913208  Molar Refractivity 47.3071 cm3
Polarizability 17.841055 Å3 Polar Surface Area 35.01 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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