4-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]butanoic acid

C10H11F3N2O2 — CID 68841341

IUPAC4-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]butanoic acid
SMILESCc1nc(C(F)(F)F)ncc1CCCC(=O)O
InChIInChI=1S/C10H11F3N2O2/c1-6-7(3-2-4-8(16)17)5-14-9(15-6)10(11,12)13/h5H,2-4H2,1H3,(H,16,17)
InChIKeyCZQFYTNKNZTUMI-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.21
Rot. Bonds4

About 4-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]butanoic acid

4-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]butanoic acid (PubChem CID 68841341) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 4-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]butanoic acid.

Molecular Properties

Compound Name4-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]butanoic acid
PubChem CID68841341
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name4-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]butanoic acid
SMILESCc1nc(C(F)(F)F)ncc1CCCC(=O)O
InChIInChI=1S/C10H11F3N2O2/c1-6-7(3-2-4-8(16)17)5-14-9(15-6)10(11,12)13/h5H,2-4H2,1H3,(H,16,17)
InChIKeyCZQFYTNKNZTUMI-UHFFFAOYSA-N
XLogP2.21
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]butanoic acid?
The IUPAC name of 4-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]butanoic acid (CID 68841341) is 4-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]butanoic acid.
What is the SMILES notation for 4-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]butanoic acid?
The canonical SMILES for 4-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]butanoic acid is Cc1nc(C(F)(F)F)ncc1CCCC(=O)O.
What is the InChIKey of 4-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]butanoic acid?
The InChIKey is CZQFYTNKNZTUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-6-7(3-2-4-8(16)17)5-14-9(15-6)10(11,12)13/h5H,2-4H2,1H3,(H,16,17).
What are the key properties of 4-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]butanoic acid?
4-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]butanoic acid has a molecular weight of 248.20 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]butanoic acid is sourced from PubChem (CID 68841341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).