4,6-dichloro-5-methyl-2-(trifluoromethyl)pyrimidine

C6H3Cl2F3N2 — CID 58035237

IUPAC4,6-dichloro-5-methyl-2-(trifluoromethyl)pyrimidine
SMILESCc1c(Cl)nc(C(F)(F)F)nc1Cl
InChIInChI=1S/C6H3Cl2F3N2/c1-2-3(7)12-5(6(9,10)11)13-4(2)8/h1H3
InChIKeySXWIUQJAWGZPIW-UHFFFAOYSA-N
MW231.00 g/mol
LogP3.11
Rot. Bonds

About 4,6-dichloro-5-methyl-2-(trifluoromethyl)pyrimidine

4,6-dichloro-5-methyl-2-(trifluoromethyl)pyrimidine (PubChem CID 58035237) has the molecular formula C6H3Cl2F3N2 and a molecular weight of 231.00 g/mol. Its IUPAC name is 4,6-dichloro-5-methyl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-methyl-2-(trifluoromethyl)pyrimidine
PubChem CID58035237
Molecular FormulaC6H3Cl2F3N2
Molecular Weight231.00 g/mol
Exact Mass229.96
IUPAC Name4,6-dichloro-5-methyl-2-(trifluoromethyl)pyrimidine
SMILESCc1c(Cl)nc(C(F)(F)F)nc1Cl
InChIInChI=1S/C6H3Cl2F3N2/c1-2-3(7)12-5(6(9,10)11)13-4(2)8/h1H3
InChIKeySXWIUQJAWGZPIW-UHFFFAOYSA-N
XLogP3.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.00
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-methyl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-methyl-2-(trifluoromethyl)pyrimidine (CID 58035237) is 4,6-dichloro-5-methyl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-methyl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-methyl-2-(trifluoromethyl)pyrimidine is Cc1c(Cl)nc(C(F)(F)F)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-methyl-2-(trifluoromethyl)pyrimidine?
The InChIKey is SXWIUQJAWGZPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2F3N2/c1-2-3(7)12-5(6(9,10)11)13-4(2)8/h1H3.
What are the key properties of 4,6-dichloro-5-methyl-2-(trifluoromethyl)pyrimidine?
4,6-dichloro-5-methyl-2-(trifluoromethyl)pyrimidine has a molecular weight of 231.00 g/mol, XLogP of 3.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-methyl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 58035237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).