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914614-53-2 molecular structure
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2-(2-methyl-1H-imidazol-1-yl)pyrimidine

ChemBase ID: 803920
Molecular Formular: C8H8N4
Molecular Mass: 160.17592
Monoisotopic Mass: 160.07489628
SMILES and InChIs

SMILES:
c1cnc(nc1)n1c(ncc1)C
Canonical SMILES:
Cc1nccn1c1ncccn1
InChI:
InChI=1S/C8H8N4/c1-7-9-5-6-12(7)8-10-3-2-4-11-8/h2-6H,1H3
InChIKey:
SCMQKHXYMDVJNF-UHFFFAOYSA-N

Cite this record

CBID:803920 http://www.chembase.cn/molecule-803920.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-methyl-1H-imidazol-1-yl)pyrimidine
IUPAC Traditional name
2-(2-methylimidazol-1-yl)pyrimidine
Synonyms
2-(2-METHYL-1H-IMIDAZOL-1-YL)PYRIMIDINE
CAS Number
914614-53-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O20671 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O20671 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) -0.25465316  LogD (pH = 7.4) 0.5381635 
Log P 0.6147507  Molar Refractivity 55.0574 cm3
Polarizability 16.730532 Å3 Polar Surface Area 43.6 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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