5-[(2-fluorophenyl)methoxy]-2-propan-2-ylpyrimidine-4-carboxylic acid

C15H15FN2O3 — CID 63932216

IUPAC5-[(2-fluorophenyl)methoxy]-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1ncc(OCc2ccccc2F)c(C(=O)O)n1
InChIInChI=1S/C15H15FN2O3/c1-9(2)14-17-7-12(13(18-14)15(19)20)21-8-10-5-3-4-6-11(10)16/h3-7,9H,8H2,1-2H3,(H,19,20)
InChIKeyUVHNGATZGKPNHR-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.02
Rot. Bonds5

About 5-[(2-fluorophenyl)methoxy]-2-propan-2-ylpyrimidine-4-carboxylic acid

5-[(2-fluorophenyl)methoxy]-2-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 63932216) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methoxy]-2-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methoxy]-2-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID63932216
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name5-[(2-fluorophenyl)methoxy]-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1ncc(OCc2ccccc2F)c(C(=O)O)n1
InChIInChI=1S/C15H15FN2O3/c1-9(2)14-17-7-12(13(18-14)15(19)20)21-8-10-5-3-4-6-11(10)16/h3-7,9H,8H2,1-2H3,(H,19,20)
InChIKeyUVHNGATZGKPNHR-UHFFFAOYSA-N
XLogP3.02
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methoxy]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-[(2-fluorophenyl)methoxy]-2-propan-2-ylpyrimidine-4-carboxylic acid (CID 63932216) is 5-[(2-fluorophenyl)methoxy]-2-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-[(2-fluorophenyl)methoxy]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-[(2-fluorophenyl)methoxy]-2-propan-2-ylpyrimidine-4-carboxylic acid is CC(C)c1ncc(OCc2ccccc2F)c(C(=O)O)n1.
What is the InChIKey of 5-[(2-fluorophenyl)methoxy]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is UVHNGATZGKPNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-9(2)14-17-7-12(13(18-14)15(19)20)21-8-10-5-3-4-6-11(10)16/h3-7,9H,8H2,1-2H3,(H,19,20).
What are the key properties of 5-[(2-fluorophenyl)methoxy]-2-propan-2-ylpyrimidine-4-carboxylic acid?
5-[(2-fluorophenyl)methoxy]-2-propan-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 290.29 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methoxy]-2-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 63932216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).