4,6-dichloro-5-(3-methylphenyl)-2-(2,2,2-trifluoroethyl)pyrimidine

C13H9Cl2F3N2 — CID 79416729

IUPAC4,6-dichloro-5-(3-methylphenyl)-2-(2,2,2-trifluoroethyl)pyrimidine
SMILESCc1cccc(-c2c(Cl)nc(CC(F)(F)F)nc2Cl)c1
InChIInChI=1S/C13H9Cl2F3N2/c1-7-3-2-4-8(5-7)10-11(14)19-9(20-12(10)15)6-13(16,17)18/h2-5H,6H2,1H3
InChIKeySJRDBOYVFARTJV-UHFFFAOYSA-N
MW321.13 g/mol
LogP4.86
Rot. Bonds2

About 4,6-dichloro-5-(3-methylphenyl)-2-(2,2,2-trifluoroethyl)pyrimidine

4,6-dichloro-5-(3-methylphenyl)-2-(2,2,2-trifluoroethyl)pyrimidine (PubChem CID 79416729) has the molecular formula C13H9Cl2F3N2 and a molecular weight of 321.13 g/mol. Its IUPAC name is 4,6-dichloro-5-(3-methylphenyl)-2-(2,2,2-trifluoroethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(3-methylphenyl)-2-(2,2,2-trifluoroethyl)pyrimidine
PubChem CID79416729
Molecular FormulaC13H9Cl2F3N2
Molecular Weight321.13 g/mol
Exact Mass320.01
IUPAC Name4,6-dichloro-5-(3-methylphenyl)-2-(2,2,2-trifluoroethyl)pyrimidine
SMILESCc1cccc(-c2c(Cl)nc(CC(F)(F)F)nc2Cl)c1
InChIInChI=1S/C13H9Cl2F3N2/c1-7-3-2-4-8(5-7)10-11(14)19-9(20-12(10)15)6-13(16,17)18/h2-5H,6H2,1H3
InChIKeySJRDBOYVFARTJV-UHFFFAOYSA-N
XLogP4.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.13
LogP ≤ 54.86
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-(3-methylphenyl)-2-(2,2,2-trifluoroethyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-(3-methylphenyl)-2-(2,2,2-trifluoroethyl)pyrimidine (CID 79416729) is 4,6-dichloro-5-(3-methylphenyl)-2-(2,2,2-trifluoroethyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(3-methylphenyl)-2-(2,2,2-trifluoroethyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-(3-methylphenyl)-2-(2,2,2-trifluoroethyl)pyrimidine is Cc1cccc(-c2c(Cl)nc(CC(F)(F)F)nc2Cl)c1.
What is the InChIKey of 4,6-dichloro-5-(3-methylphenyl)-2-(2,2,2-trifluoroethyl)pyrimidine?
The InChIKey is SJRDBOYVFARTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F3N2/c1-7-3-2-4-8(5-7)10-11(14)19-9(20-12(10)15)6-13(16,17)18/h2-5H,6H2,1H3.
What are the key properties of 4,6-dichloro-5-(3-methylphenyl)-2-(2,2,2-trifluoroethyl)pyrimidine?
4,6-dichloro-5-(3-methylphenyl)-2-(2,2,2-trifluoroethyl)pyrimidine has a molecular weight of 321.13 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(3-methylphenyl)-2-(2,2,2-trifluoroethyl)pyrimidine is sourced from PubChem (CID 79416729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).