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

C12H15F3N2O2 — CID 79218266

IUPAC2-[4,6-diethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid
SMILESCCc1nc(CC(F)(F)F)nc(CC)c1CC(=O)O
InChIInChI=1S/C12H15F3N2O2/c1-3-8-7(5-11(18)19)9(4-2)17-10(16-8)6-12(13,14)15/h3-6H2,1-2H3,(H,18,19)
InChIKeyVNEZIQJCMGYJDU-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.33
Rot. Bonds5

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

2-[4,6-diethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid (PubChem CID 79218266) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-[4,6-diethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4,6-diethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid
PubChem CID79218266
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name2-[4,6-diethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid
SMILESCCc1nc(CC(F)(F)F)nc(CC)c1CC(=O)O
InChIInChI=1S/C12H15F3N2O2/c1-3-8-7(5-11(18)19)9(4-2)17-10(16-8)6-12(13,14)15/h3-6H2,1-2H3,(H,18,19)
InChIKeyVNEZIQJCMGYJDU-UHFFFAOYSA-N
XLogP2.33
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4,6-diethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[4,6-diethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid (CID 79218266) is 2-[4,6-diethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[4,6-diethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[4,6-diethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid is CCc1nc(CC(F)(F)F)nc(CC)c1CC(=O)O.
What is the InChIKey of 2-[4,6-diethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid?
The InChIKey is VNEZIQJCMGYJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-3-8-7(5-11(18)19)9(4-2)17-10(16-8)6-12(13,14)15/h3-6H2,1-2H3,(H,18,19).
What are the key properties of 2-[4,6-diethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid?
2-[4,6-diethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid has a molecular weight of 276.26 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-diethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 79218266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).