2-[3-(5-propylpyrimidin-2-yl)phenyl]acetic acid

C15H16N2O2 — CID 155915416

IUPAC2-[3-(5-propylpyrimidin-2-yl)phenyl]acetic acid
SMILESCCCc1cnc(-c2cccc(CC(=O)O)c2)nc1
InChIInChI=1S/C15H16N2O2/c1-2-4-12-9-16-15(17-10-12)13-6-3-5-11(7-13)8-14(18)19/h3,5-7,9-10H,2,4,8H2,1H3,(H,18,19)
InChIKeyWKIKUFGLQZHCBD-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.72
Rot. Bonds5

About 2-[3-(5-propylpyrimidin-2-yl)phenyl]acetic acid

2-[3-(5-propylpyrimidin-2-yl)phenyl]acetic acid (PubChem CID 155915416) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[3-(5-propylpyrimidin-2-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(5-propylpyrimidin-2-yl)phenyl]acetic acid
PubChem CID155915416
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-[3-(5-propylpyrimidin-2-yl)phenyl]acetic acid
SMILESCCCc1cnc(-c2cccc(CC(=O)O)c2)nc1
InChIInChI=1S/C15H16N2O2/c1-2-4-12-9-16-15(17-10-12)13-6-3-5-11(7-13)8-14(18)19/h3,5-7,9-10H,2,4,8H2,1H3,(H,18,19)
InChIKeyWKIKUFGLQZHCBD-UHFFFAOYSA-N
XLogP2.72
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-propylpyrimidin-2-yl)phenyl]acetic acid?
The IUPAC name of 2-[3-(5-propylpyrimidin-2-yl)phenyl]acetic acid (CID 155915416) is 2-[3-(5-propylpyrimidin-2-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(5-propylpyrimidin-2-yl)phenyl]acetic acid?
The canonical SMILES for 2-[3-(5-propylpyrimidin-2-yl)phenyl]acetic acid is CCCc1cnc(-c2cccc(CC(=O)O)c2)nc1.
What is the InChIKey of 2-[3-(5-propylpyrimidin-2-yl)phenyl]acetic acid?
The InChIKey is WKIKUFGLQZHCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-4-12-9-16-15(17-10-12)13-6-3-5-11(7-13)8-14(18)19/h3,5-7,9-10H,2,4,8H2,1H3,(H,18,19).
What are the key properties of 2-[3-(5-propylpyrimidin-2-yl)phenyl]acetic acid?
2-[3-(5-propylpyrimidin-2-yl)phenyl]acetic acid has a molecular weight of 256.31 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-propylpyrimidin-2-yl)phenyl]acetic acid is sourced from PubChem (CID 155915416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).