5-(5-ethyl-6-methyl-3-pyridinyl)-2-(trifluoromethyl)pyrimidine

C13H12F3N3 — CID 122533054

IUPAC5-(5-ethyl-6-methyl-3-pyridinyl)-2-(trifluoromethyl)pyrimidine
SMILESCCc1cc(-c2cnc(C(F)(F)F)nc2)cnc1C
InChIInChI=1S/C13H12F3N3/c1-3-9-4-10(5-17-8(9)2)11-6-18-12(19-7-11)13(14,15)16/h4-7H,3H2,1-2H3
InChIKeyQPCBGHPJLRPIQW-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.43
Rot. Bonds2

About 5-(5-ethyl-6-methyl-3-pyridinyl)-2-(trifluoromethyl)pyrimidine

5-(5-ethyl-6-methyl-3-pyridinyl)-2-(trifluoromethyl)pyrimidine (PubChem CID 122533054) has the molecular formula C13H12F3N3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 5-(5-ethyl-6-methyl-3-pyridinyl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-(5-ethyl-6-methyl-3-pyridinyl)-2-(trifluoromethyl)pyrimidine
PubChem CID122533054
Molecular FormulaC13H12F3N3
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC Name5-(5-ethyl-6-methyl-3-pyridinyl)-2-(trifluoromethyl)pyrimidine
SMILESCCc1cc(-c2cnc(C(F)(F)F)nc2)cnc1C
InChIInChI=1S/C13H12F3N3/c1-3-9-4-10(5-17-8(9)2)11-6-18-12(19-7-11)13(14,15)16/h4-7H,3H2,1-2H3
InChIKeyQPCBGHPJLRPIQW-UHFFFAOYSA-N
XLogP3.43
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-6-methyl-3-pyridinyl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-(5-ethyl-6-methyl-3-pyridinyl)-2-(trifluoromethyl)pyrimidine (CID 122533054) is 5-(5-ethyl-6-methyl-3-pyridinyl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-(5-ethyl-6-methyl-3-pyridinyl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-(5-ethyl-6-methyl-3-pyridinyl)-2-(trifluoromethyl)pyrimidine is CCc1cc(-c2cnc(C(F)(F)F)nc2)cnc1C.
What is the InChIKey of 5-(5-ethyl-6-methyl-3-pyridinyl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is QPCBGHPJLRPIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3/c1-3-9-4-10(5-17-8(9)2)11-6-18-12(19-7-11)13(14,15)16/h4-7H,3H2,1-2H3.
What are the key properties of 5-(5-ethyl-6-methyl-3-pyridinyl)-2-(trifluoromethyl)pyrimidine?
5-(5-ethyl-6-methyl-3-pyridinyl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 267.25 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-6-methyl-3-pyridinyl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 122533054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).