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

C16H17FN2O2 — CID 79219332

IUPAC2-[4,6-diethyl-2-(3-fluorophenyl)pyrimidin-5-yl]acetic acid
SMILESCCc1nc(-c2cccc(F)c2)nc(CC)c1CC(=O)O
InChIInChI=1S/C16H17FN2O2/c1-3-13-12(9-15(20)21)14(4-2)19-16(18-13)10-6-5-7-11(17)8-10/h5-8H,3-4,9H2,1-2H3,(H,20,21)
InChIKeyQKSRYLAYOFTKSX-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.03
Rot. Bonds5

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

2-[4,6-diethyl-2-(3-fluorophenyl)pyrimidin-5-yl]acetic acid (PubChem CID 79219332) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-[4,6-diethyl-2-(3-fluorophenyl)pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4,6-diethyl-2-(3-fluorophenyl)pyrimidin-5-yl]acetic acid
PubChem CID79219332
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-[4,6-diethyl-2-(3-fluorophenyl)pyrimidin-5-yl]acetic acid
SMILESCCc1nc(-c2cccc(F)c2)nc(CC)c1CC(=O)O
InChIInChI=1S/C16H17FN2O2/c1-3-13-12(9-15(20)21)14(4-2)19-16(18-13)10-6-5-7-11(17)8-10/h5-8H,3-4,9H2,1-2H3,(H,20,21)
InChIKeyQKSRYLAYOFTKSX-UHFFFAOYSA-N
XLogP3.03
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.03
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-fluorophenyl)pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[4,6-diethyl-2-(3-fluorophenyl)pyrimidin-5-yl]acetic acid (CID 79219332) is 2-[4,6-diethyl-2-(3-fluorophenyl)pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[4,6-diethyl-2-(3-fluorophenyl)pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[4,6-diethyl-2-(3-fluorophenyl)pyrimidin-5-yl]acetic acid is CCc1nc(-c2cccc(F)c2)nc(CC)c1CC(=O)O.
What is the InChIKey of 2-[4,6-diethyl-2-(3-fluorophenyl)pyrimidin-5-yl]acetic acid?
The InChIKey is QKSRYLAYOFTKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-3-13-12(9-15(20)21)14(4-2)19-16(18-13)10-6-5-7-11(17)8-10/h5-8H,3-4,9H2,1-2H3,(H,20,21).
What are the key properties of 2-[4,6-diethyl-2-(3-fluorophenyl)pyrimidin-5-yl]acetic acid?
2-[4,6-diethyl-2-(3-fluorophenyl)pyrimidin-5-yl]acetic acid has a molecular weight of 288.32 g/mol, XLogP of 3.03, 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-(3-fluorophenyl)pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 79219332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).