2-[2-(3-propan-2-ylphenyl)pyrimidin-5-yl]oxyacetic acid

C15H16N2O3 — CID 146018732

IUPAC2-[2-(3-propan-2-ylphenyl)pyrimidin-5-yl]oxyacetic acid
SMILESCC(C)c1cccc(-c2ncc(OCC(=O)O)cn2)c1
InChIInChI=1S/C15H16N2O3/c1-10(2)11-4-3-5-12(6-11)15-16-7-13(8-17-15)20-9-14(18)19/h3-8,10H,9H2,1-2H3,(H,18,19)
InChIKeyAECHKCWNASJRRN-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.73
Rot. Bonds5

About 2-[2-(3-propan-2-ylphenyl)pyrimidin-5-yl]oxyacetic acid

2-[2-(3-propan-2-ylphenyl)pyrimidin-5-yl]oxyacetic acid (PubChem CID 146018732) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[2-(3-propan-2-ylphenyl)pyrimidin-5-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[2-(3-propan-2-ylphenyl)pyrimidin-5-yl]oxyacetic acid
PubChem CID146018732
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-[2-(3-propan-2-ylphenyl)pyrimidin-5-yl]oxyacetic acid
SMILESCC(C)c1cccc(-c2ncc(OCC(=O)O)cn2)c1
InChIInChI=1S/C15H16N2O3/c1-10(2)11-4-3-5-12(6-11)15-16-7-13(8-17-15)20-9-14(18)19/h3-8,10H,9H2,1-2H3,(H,18,19)
InChIKeyAECHKCWNASJRRN-UHFFFAOYSA-N
XLogP2.73
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(carboxymethoxy)-4-propan-2-ylphenoxy]acetic acid
CID 20697686
2-[3-methyl-4-[[2-(3-propan-2-ylphenoxy)acetyl]amino]phenoxy]acetic acid
CID 119231617
2-[2-(2-fluorophenyl)pyrimidin-5-yl]oxyacetic acid
CID 117229820
2-[3-(1-pyridin-3-ylpropyl)phenoxy]acetic acid
CID 173328549
(E)-3-methyl-4-(3-propan-2-ylphenoxy)but-2-enoic acid
CID 63774876
2-[1-methyl-4-(3-propan-2-ylphenyl)pyrazol-5-yl]acetic acid
CID 167863116
1-(4-chlorophenyl)-2-(3-propan-2-ylphenoxy)ethanone
CID 43412075
3-(5-propan-2-ylpyrimidin-2-yl)aniline
CID 105466920
2-[4-[phenyl(sulfanyl)methyl]phenoxy]acetic acid
CID 10989451
[2-(3-hydroxyphenyl)pyrimidin-5-yl] hydrogen carbonate
CID 117231285
2-[(3-propan-2-ylbenzoyl)amino]acetic acid
CID 90058974
5-(3-propan-2-ylphenyl)pyridine-2-carboxamide
CID 123211569

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-propan-2-ylphenyl)pyrimidin-5-yl]oxyacetic acid?
The IUPAC name of 2-[2-(3-propan-2-ylphenyl)pyrimidin-5-yl]oxyacetic acid (CID 146018732) is 2-[2-(3-propan-2-ylphenyl)pyrimidin-5-yl]oxyacetic acid.
What is the SMILES notation for 2-[2-(3-propan-2-ylphenyl)pyrimidin-5-yl]oxyacetic acid?
The canonical SMILES for 2-[2-(3-propan-2-ylphenyl)pyrimidin-5-yl]oxyacetic acid is CC(C)c1cccc(-c2ncc(OCC(=O)O)cn2)c1.
What is the InChIKey of 2-[2-(3-propan-2-ylphenyl)pyrimidin-5-yl]oxyacetic acid?
The InChIKey is AECHKCWNASJRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10(2)11-4-3-5-12(6-11)15-16-7-13(8-17-15)20-9-14(18)19/h3-8,10H,9H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-(3-propan-2-ylphenyl)pyrimidin-5-yl]oxyacetic acid?
2-[2-(3-propan-2-ylphenyl)pyrimidin-5-yl]oxyacetic acid has a molecular weight of 272.30 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-propan-2-ylphenyl)pyrimidin-5-yl]oxyacetic acid is sourced from PubChem (CID 146018732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).