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19927-61-8 molecular structure
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2-methyl-4-(4-methylphenyl)pyrimidine

ChemBase ID: 796456
Molecular Formular: C12H12N2
Molecular Mass: 184.23708
Monoisotopic Mass: 184.10004839
SMILES and InChIs

SMILES:
c1c(nc(nc1)C)c1ccc(cc1)C
Canonical SMILES:
Cc1ccc(cc1)c1ccnc(n1)C
InChI:
InChI=1S/C12H12N2/c1-9-3-5-11(6-4-9)12-7-8-13-10(2)14-12/h3-8H,1-2H3
InChIKey:
LQOQZWZDLZDOPU-UHFFFAOYSA-N

Cite this record

CBID:796456 http://www.chembase.cn/molecule-796456.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-4-(4-methylphenyl)pyrimidine
IUPAC Traditional name
2-methyl-4-(4-methylphenyl)pyrimidine
Synonyms
2-Methyl-4-(p-tolyl)pyriMidine
CAS Number
19927-61-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O2901 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O2901 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) 3.0964367  LogD (pH = 7.4) 3.0985699 
Log P 3.098597  Molar Refractivity 57.1521 cm3
Polarizability 23.105076 Å3 Polar Surface Area 25.78 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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