4,6-dimethyl-2-(2,4,6-trichlorophenoxy)pyrimidine

C12H9Cl3N2O — CID 776460

IUPAC4,6-dimethyl-2-(2,4,6-trichlorophenoxy)pyrimidine
SMILESCc1cc(C)nc(Oc2c(Cl)cc(Cl)cc2Cl)n1
InChIInChI=1S/C12H9Cl3N2O/c1-6-3-7(2)17-12(16-6)18-11-9(14)4-8(13)5-10(11)15/h3-5H,1-2H3
InChIKeyDJXRAVJAZYAMPN-UHFFFAOYSA-N
MW303.58 g/mol
LogP4.85
Rot. Bonds2

About 4,6-dimethyl-2-(2,4,6-trichlorophenoxy)pyrimidine

4,6-dimethyl-2-(2,4,6-trichlorophenoxy)pyrimidine (PubChem CID 776460) has the molecular formula C12H9Cl3N2O and a molecular weight of 303.58 g/mol. Its IUPAC name is 4,6-dimethyl-2-(2,4,6-trichlorophenoxy)pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-(2,4,6-trichlorophenoxy)pyrimidine
PubChem CID776460
Molecular FormulaC12H9Cl3N2O
Molecular Weight303.58 g/mol
Exact Mass301.98
IUPAC Name4,6-dimethyl-2-(2,4,6-trichlorophenoxy)pyrimidine
SMILESCc1cc(C)nc(Oc2c(Cl)cc(Cl)cc2Cl)n1
InChIInChI=1S/C12H9Cl3N2O/c1-6-3-7(2)17-12(16-6)18-11-9(14)4-8(13)5-10(11)15/h3-5H,1-2H3
InChIKeyDJXRAVJAZYAMPN-UHFFFAOYSA-N
XLogP4.85
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.58
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(2,4,6-trichlorophenoxy)pyrimidine?
The IUPAC name of 4,6-dimethyl-2-(2,4,6-trichlorophenoxy)pyrimidine (CID 776460) is 4,6-dimethyl-2-(2,4,6-trichlorophenoxy)pyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-(2,4,6-trichlorophenoxy)pyrimidine?
The canonical SMILES for 4,6-dimethyl-2-(2,4,6-trichlorophenoxy)pyrimidine is Cc1cc(C)nc(Oc2c(Cl)cc(Cl)cc2Cl)n1.
What is the InChIKey of 4,6-dimethyl-2-(2,4,6-trichlorophenoxy)pyrimidine?
The InChIKey is DJXRAVJAZYAMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl3N2O/c1-6-3-7(2)17-12(16-6)18-11-9(14)4-8(13)5-10(11)15/h3-5H,1-2H3.
What are the key properties of 4,6-dimethyl-2-(2,4,6-trichlorophenoxy)pyrimidine?
4,6-dimethyl-2-(2,4,6-trichlorophenoxy)pyrimidine has a molecular weight of 303.58 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(2,4,6-trichlorophenoxy)pyrimidine is sourced from PubChem (CID 776460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).