2-methyl-4-pentyl-6-(trifluoromethyl)pyrimidine

C11H15F3N2 — CID 15365206

IUPAC2-methyl-4-pentyl-6-(trifluoromethyl)pyrimidine
SMILESCCCCCc1cc(C(F)(F)F)nc(C)n1
InChIInChI=1S/C11H15F3N2/c1-3-4-5-6-9-7-10(11(12,13)14)16-8(2)15-9/h7H,3-6H2,1-2H3
InChIKeyUVBUSKHXDFBHQT-UHFFFAOYSA-N
MW232.25 g/mol
LogP3.54
Rot. Bonds4

About 2-methyl-4-pentyl-6-(trifluoromethyl)pyrimidine

2-methyl-4-pentyl-6-(trifluoromethyl)pyrimidine (PubChem CID 15365206) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 2-methyl-4-pentyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-methyl-4-pentyl-6-(trifluoromethyl)pyrimidine
PubChem CID15365206
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name2-methyl-4-pentyl-6-(trifluoromethyl)pyrimidine
SMILESCCCCCc1cc(C(F)(F)F)nc(C)n1
InChIInChI=1S/C11H15F3N2/c1-3-4-5-6-9-7-10(11(12,13)14)16-8(2)15-9/h7H,3-6H2,1-2H3
InChIKeyUVBUSKHXDFBHQT-UHFFFAOYSA-N
XLogP3.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pentyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-methyl-4-pentyl-6-(trifluoromethyl)pyrimidine (CID 15365206) is 2-methyl-4-pentyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-methyl-4-pentyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-methyl-4-pentyl-6-(trifluoromethyl)pyrimidine is CCCCCc1cc(C(F)(F)F)nc(C)n1.
What is the InChIKey of 2-methyl-4-pentyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is UVBUSKHXDFBHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-3-4-5-6-9-7-10(11(12,13)14)16-8(2)15-9/h7H,3-6H2,1-2H3.
What are the key properties of 2-methyl-4-pentyl-6-(trifluoromethyl)pyrimidine?
2-methyl-4-pentyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 232.25 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pentyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 15365206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).