4-chloro-6-methyl-5-phenyl-2-(trifluoromethyl)pyrimidine

C12H8ClF3N2 — CID 58089417

IUPAC4-chloro-6-methyl-5-phenyl-2-(trifluoromethyl)pyrimidine
SMILESCc1nc(C(F)(F)F)nc(Cl)c1-c1ccccc1
InChIInChI=1S/C12H8ClF3N2/c1-7-9(8-5-3-2-4-6-8)10(13)18-11(17-7)12(14,15)16/h2-6H,1H3
InChIKeyVSDVFURAYPFMSD-UHFFFAOYSA-N
MW272.66 g/mol
LogP4.12
Rot. Bonds1

About 4-chloro-6-methyl-5-phenyl-2-(trifluoromethyl)pyrimidine

4-chloro-6-methyl-5-phenyl-2-(trifluoromethyl)pyrimidine (PubChem CID 58089417) has the molecular formula C12H8ClF3N2 and a molecular weight of 272.66 g/mol. Its IUPAC name is 4-chloro-6-methyl-5-phenyl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-5-phenyl-2-(trifluoromethyl)pyrimidine
PubChem CID58089417
Molecular FormulaC12H8ClF3N2
Molecular Weight272.66 g/mol
Exact Mass272.03
IUPAC Name4-chloro-6-methyl-5-phenyl-2-(trifluoromethyl)pyrimidine
SMILESCc1nc(C(F)(F)F)nc(Cl)c1-c1ccccc1
InChIInChI=1S/C12H8ClF3N2/c1-7-9(8-5-3-2-4-6-8)10(13)18-11(17-7)12(14,15)16/h2-6H,1H3
InChIKeyVSDVFURAYPFMSD-UHFFFAOYSA-N
XLogP4.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.66
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-5-phenyl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-methyl-5-phenyl-2-(trifluoromethyl)pyrimidine (CID 58089417) is 4-chloro-6-methyl-5-phenyl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-5-phenyl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-methyl-5-phenyl-2-(trifluoromethyl)pyrimidine is Cc1nc(C(F)(F)F)nc(Cl)c1-c1ccccc1.
What is the InChIKey of 4-chloro-6-methyl-5-phenyl-2-(trifluoromethyl)pyrimidine?
The InChIKey is VSDVFURAYPFMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2/c1-7-9(8-5-3-2-4-6-8)10(13)18-11(17-7)12(14,15)16/h2-6H,1H3.
What are the key properties of 4-chloro-6-methyl-5-phenyl-2-(trifluoromethyl)pyrimidine?
4-chloro-6-methyl-5-phenyl-2-(trifluoromethyl)pyrimidine has a molecular weight of 272.66 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-5-phenyl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 58089417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).