4,6-dimethyl-2-(3-methylphenyl)pyrimidine

C13H14N2 — CID 55264289

IUPAC4,6-dimethyl-2-(3-methylphenyl)pyrimidine
SMILESCc1cccc(-c2nc(C)cc(C)n2)c1
InChIInChI=1S/C13H14N2/c1-9-5-4-6-12(7-9)13-14-10(2)8-11(3)15-13/h4-8H,1-3H3
InChIKeyIQQDFNVFWHIZNM-UHFFFAOYSA-N
MW198.27 g/mol
LogP3.07
Rot. Bonds1

About 4,6-dimethyl-2-(3-methylphenyl)pyrimidine

4,6-dimethyl-2-(3-methylphenyl)pyrimidine (PubChem CID 55264289) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 4,6-dimethyl-2-(3-methylphenyl)pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-(3-methylphenyl)pyrimidine
PubChem CID55264289
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name4,6-dimethyl-2-(3-methylphenyl)pyrimidine
SMILESCc1cccc(-c2nc(C)cc(C)n2)c1
InChIInChI=1S/C13H14N2/c1-9-5-4-6-12(7-9)13-14-10(2)8-11(3)15-13/h4-8H,1-3H3
InChIKeyIQQDFNVFWHIZNM-UHFFFAOYSA-N
XLogP3.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(3-methylphenyl)pyrimidine?
The IUPAC name of 4,6-dimethyl-2-(3-methylphenyl)pyrimidine (CID 55264289) is 4,6-dimethyl-2-(3-methylphenyl)pyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-(3-methylphenyl)pyrimidine?
The canonical SMILES for 4,6-dimethyl-2-(3-methylphenyl)pyrimidine is Cc1cccc(-c2nc(C)cc(C)n2)c1.
What is the InChIKey of 4,6-dimethyl-2-(3-methylphenyl)pyrimidine?
The InChIKey is IQQDFNVFWHIZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-9-5-4-6-12(7-9)13-14-10(2)8-11(3)15-13/h4-8H,1-3H3.
What are the key properties of 4,6-dimethyl-2-(3-methylphenyl)pyrimidine?
4,6-dimethyl-2-(3-methylphenyl)pyrimidine has a molecular weight of 198.27 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(3-methylphenyl)pyrimidine is sourced from PubChem (CID 55264289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).