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

C11H13F3N2O2 — CID 55062883

IUPAC2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propanoic acid
SMILESCc1nc(CC(F)(F)F)nc(C)c1C(C)C(=O)O
InChIInChI=1S/C11H13F3N2O2/c1-5(10(17)18)9-6(2)15-8(16-7(9)3)4-11(12,13)14/h5H,4H2,1-3H3,(H,17,18)
InChIKeySMOPTZIKKODUJH-UHFFFAOYSA-N
MW262.23 g/mol
LogP2.39
Rot. Bonds3

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

2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propanoic acid (PubChem CID 55062883) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propanoic acid.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propanoic acid
PubChem CID55062883
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propanoic acid
SMILESCc1nc(CC(F)(F)F)nc(C)c1C(C)C(=O)O
InChIInChI=1S/C11H13F3N2O2/c1-5(10(17)18)9-6(2)15-8(16-7(9)3)4-11(12,13)14/h5H,4H2,1-3H3,(H,17,18)
InChIKeySMOPTZIKKODUJH-UHFFFAOYSA-N
XLogP2.39
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.39
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]propanoic acid?
The IUPAC name of 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propanoic acid (CID 55062883) is 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propanoic acid.
What is the SMILES notation for 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propanoic acid?
The canonical SMILES for 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propanoic acid is Cc1nc(CC(F)(F)F)nc(C)c1C(C)C(=O)O.
What is the InChIKey of 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propanoic acid?
The InChIKey is SMOPTZIKKODUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-5(10(17)18)9-6(2)15-8(16-7(9)3)4-11(12,13)14/h5H,4H2,1-3H3,(H,17,18).
What are the key properties of 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propanoic acid?
2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propanoic acid has a molecular weight of 262.23 g/mol, XLogP of 2.39, 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]propanoic acid is sourced from PubChem (CID 55062883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).