4-(3,5-dimethylphenyl)-2,6-dimethylpyrimidine

C14H16N2 — CID 118345131

IUPAC4-(3,5-dimethylphenyl)-2,6-dimethylpyrimidine
SMILESCc1cc(C)cc(-c2cc(C)nc(C)n2)c1
InChIInChI=1S/C14H16N2/c1-9-5-10(2)7-13(6-9)14-8-11(3)15-12(4)16-14/h5-8H,1-4H3
InChIKeyXYJXIDZUUSUHGT-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.38
Rot. Bonds1

About 4-(3,5-dimethylphenyl)-2,6-dimethylpyrimidine

4-(3,5-dimethylphenyl)-2,6-dimethylpyrimidine (PubChem CID 118345131) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-2,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-2,6-dimethylpyrimidine
PubChem CID118345131
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name4-(3,5-dimethylphenyl)-2,6-dimethylpyrimidine
SMILESCc1cc(C)cc(-c2cc(C)nc(C)n2)c1
InChIInChI=1S/C14H16N2/c1-9-5-10(2)7-13(6-9)14-8-11(3)15-12(4)16-14/h5-8H,1-4H3
InChIKeyXYJXIDZUUSUHGT-UHFFFAOYSA-N
XLogP3.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-2,6-dimethylpyrimidine?
The IUPAC name of 4-(3,5-dimethylphenyl)-2,6-dimethylpyrimidine (CID 118345131) is 4-(3,5-dimethylphenyl)-2,6-dimethylpyrimidine.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-2,6-dimethylpyrimidine?
The canonical SMILES for 4-(3,5-dimethylphenyl)-2,6-dimethylpyrimidine is Cc1cc(C)cc(-c2cc(C)nc(C)n2)c1.
What is the InChIKey of 4-(3,5-dimethylphenyl)-2,6-dimethylpyrimidine?
The InChIKey is XYJXIDZUUSUHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-9-5-10(2)7-13(6-9)14-8-11(3)15-12(4)16-14/h5-8H,1-4H3.
What are the key properties of 4-(3,5-dimethylphenyl)-2,6-dimethylpyrimidine?
4-(3,5-dimethylphenyl)-2,6-dimethylpyrimidine has a molecular weight of 212.30 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)-2,6-dimethylpyrimidine is sourced from PubChem (CID 118345131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).