2-[4,6-diethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]acetic acid

C13H17F3N2O2 — CID 79964581

IUPAC2-[4,6-diethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]acetic acid
SMILESCCc1nc(CCC(F)(F)F)nc(CC)c1CC(=O)O
InChIInChI=1S/C13H17F3N2O2/c1-3-9-8(7-12(19)20)10(4-2)18-11(17-9)5-6-13(14,15)16/h3-7H2,1-2H3,(H,19,20)
InChIKeyXVGQUJTYYXWTHU-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.72
Rot. Bonds6

About 2-[4,6-diethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]acetic acid

2-[4,6-diethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]acetic acid (PubChem CID 79964581) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-[4,6-diethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4,6-diethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]acetic acid
PubChem CID79964581
Molecular FormulaC13H17F3N2O2
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC Name2-[4,6-diethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]acetic acid
SMILESCCc1nc(CCC(F)(F)F)nc(CC)c1CC(=O)O
InChIInChI=1S/C13H17F3N2O2/c1-3-9-8(7-12(19)20)10(4-2)18-11(17-9)5-6-13(14,15)16/h3-7H2,1-2H3,(H,19,20)
InChIKeyXVGQUJTYYXWTHU-UHFFFAOYSA-N
XLogP2.72
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.72
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-(3,3,3-trifluoropropyl)pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[4,6-diethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]acetic acid (CID 79964581) is 2-[4,6-diethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[4,6-diethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[4,6-diethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]acetic acid is CCc1nc(CCC(F)(F)F)nc(CC)c1CC(=O)O.
What is the InChIKey of 2-[4,6-diethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]acetic acid?
The InChIKey is XVGQUJTYYXWTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-3-9-8(7-12(19)20)10(4-2)18-11(17-9)5-6-13(14,15)16/h3-7H2,1-2H3,(H,19,20).
What are the key properties of 2-[4,6-diethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]acetic acid?
2-[4,6-diethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]acetic acid has a molecular weight of 290.28 g/mol, XLogP of 2.72, 6 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-(3,3,3-trifluoropropyl)pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 79964581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).