2-[2-cyclopentyl-6-(4-fluorophenyl)-4H-pyrimidin-3-yl]acetic acid

C17H19FN2O2 — CID 123537929

IUPAC2-[2-cyclopentyl-6-(4-fluorophenyl)-4H-pyrimidin-3-yl]acetic acid
SMILESO=C(O)CN1CC=C(c2ccc(F)cc2)N=C1C1CCCC1
InChIInChI=1S/C17H19FN2O2/c18-14-7-5-12(6-8-14)15-9-10-20(11-16(21)22)17(19-15)13-3-1-2-4-13/h5-9,13H,1-4,10-11H2,(H,21,22)
InChIKeyHXNHMZLHUCZNGU-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.16
Rot. Bonds4

About 2-[2-cyclopentyl-6-(4-fluorophenyl)-4H-pyrimidin-3-yl]acetic acid

2-[2-cyclopentyl-6-(4-fluorophenyl)-4H-pyrimidin-3-yl]acetic acid (PubChem CID 123537929) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-[2-cyclopentyl-6-(4-fluorophenyl)-4H-pyrimidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-cyclopentyl-6-(4-fluorophenyl)-4H-pyrimidin-3-yl]acetic acid
PubChem CID123537929
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name2-[2-cyclopentyl-6-(4-fluorophenyl)-4H-pyrimidin-3-yl]acetic acid
SMILESO=C(O)CN1CC=C(c2ccc(F)cc2)N=C1C1CCCC1
InChIInChI=1S/C17H19FN2O2/c18-14-7-5-12(6-8-14)15-9-10-20(11-16(21)22)17(19-15)13-3-1-2-4-13/h5-9,13H,1-4,10-11H2,(H,21,22)
InChIKeyHXNHMZLHUCZNGU-UHFFFAOYSA-N
XLogP3.16
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclopentyl-6-(4-fluorophenyl)-4H-pyrimidin-3-yl]acetic acid?
The IUPAC name of 2-[2-cyclopentyl-6-(4-fluorophenyl)-4H-pyrimidin-3-yl]acetic acid (CID 123537929) is 2-[2-cyclopentyl-6-(4-fluorophenyl)-4H-pyrimidin-3-yl]acetic acid.
What is the SMILES notation for 2-[2-cyclopentyl-6-(4-fluorophenyl)-4H-pyrimidin-3-yl]acetic acid?
The canonical SMILES for 2-[2-cyclopentyl-6-(4-fluorophenyl)-4H-pyrimidin-3-yl]acetic acid is O=C(O)CN1CC=C(c2ccc(F)cc2)N=C1C1CCCC1.
What is the InChIKey of 2-[2-cyclopentyl-6-(4-fluorophenyl)-4H-pyrimidin-3-yl]acetic acid?
The InChIKey is HXNHMZLHUCZNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c18-14-7-5-12(6-8-14)15-9-10-20(11-16(21)22)17(19-15)13-3-1-2-4-13/h5-9,13H,1-4,10-11H2,(H,21,22).
What are the key properties of 2-[2-cyclopentyl-6-(4-fluorophenyl)-4H-pyrimidin-3-yl]acetic acid?
2-[2-cyclopentyl-6-(4-fluorophenyl)-4H-pyrimidin-3-yl]acetic acid has a molecular weight of 302.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclopentyl-6-(4-fluorophenyl)-4H-pyrimidin-3-yl]acetic acid is sourced from PubChem (CID 123537929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).