2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid

C10H11F3N2O2 — CID 61392786

IUPAC2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid
SMILESCc1nc(CC(F)(F)F)nc(C)c1CC(=O)O
InChIInChI=1S/C10H11F3N2O2/c1-5-7(3-9(16)17)6(2)15-8(14-5)4-10(11,12)13/h3-4H2,1-2H3,(H,16,17)
InChIKeyZSMKOTZNQFYCJB-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.83
Rot. Bonds3

About 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid

2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid (PubChem CID 61392786) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid
PubChem CID61392786
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid
SMILESCc1nc(CC(F)(F)F)nc(C)c1CC(=O)O
InChIInChI=1S/C10H11F3N2O2/c1-5-7(3-9(16)17)6(2)15-8(14-5)4-10(11,12)13/h3-4H2,1-2H3,(H,16,17)
InChIKeyZSMKOTZNQFYCJB-UHFFFAOYSA-N
XLogP1.83
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid (CID 61392786) is 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid is Cc1nc(CC(F)(F)F)nc(C)c1CC(=O)O.
What is the InChIKey of 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid?
The InChIKey is ZSMKOTZNQFYCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-5-7(3-9(16)17)6(2)15-8(14-5)4-10(11,12)13/h3-4H2,1-2H3,(H,16,17).
What are the key properties of 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid?
2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid has a molecular weight of 248.20 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 61392786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).