5-(3-methylpentan-2-yl)-2-(trifluoromethyl)pyrimidine

C11H15F3N2 — CID 91028544

IUPAC5-(3-methylpentan-2-yl)-2-(trifluoromethyl)pyrimidine
SMILESCCC(C)C(C)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C11H15F3N2/c1-4-7(2)8(3)9-5-15-10(16-6-9)11(12,13)14/h5-8H,4H2,1-3H3
InChIKeyMQQOKBGGHJCNHA-UHFFFAOYSA-N
MW232.25 g/mol
LogP3.64
Rot. Bonds3

About 5-(3-methylpentan-2-yl)-2-(trifluoromethyl)pyrimidine

5-(3-methylpentan-2-yl)-2-(trifluoromethyl)pyrimidine (PubChem CID 91028544) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 5-(3-methylpentan-2-yl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-(3-methylpentan-2-yl)-2-(trifluoromethyl)pyrimidine
PubChem CID91028544
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name5-(3-methylpentan-2-yl)-2-(trifluoromethyl)pyrimidine
SMILESCCC(C)C(C)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C11H15F3N2/c1-4-7(2)8(3)9-5-15-10(16-6-9)11(12,13)14/h5-8H,4H2,1-3H3
InChIKeyMQQOKBGGHJCNHA-UHFFFAOYSA-N
XLogP3.64
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpentan-2-yl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-(3-methylpentan-2-yl)-2-(trifluoromethyl)pyrimidine (CID 91028544) is 5-(3-methylpentan-2-yl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-(3-methylpentan-2-yl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-(3-methylpentan-2-yl)-2-(trifluoromethyl)pyrimidine is CCC(C)C(C)c1cnc(C(F)(F)F)nc1.
What is the InChIKey of 5-(3-methylpentan-2-yl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is MQQOKBGGHJCNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-4-7(2)8(3)9-5-15-10(16-6-9)11(12,13)14/h5-8H,4H2,1-3H3.
What are the key properties of 5-(3-methylpentan-2-yl)-2-(trifluoromethyl)pyrimidine?
5-(3-methylpentan-2-yl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 232.25 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpentan-2-yl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 91028544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).