3-[4-(2-tert-butylimidazo[1,2-a]pyrimidin-3-yl)phenyl]propanoic acid

C19H21N3O2 — CID 122563846

IUPAC3-[4-(2-tert-butylimidazo[1,2-a]pyrimidin-3-yl)phenyl]propanoic acid
SMILESCC(C)(C)c1nc2ncccn2c1-c1ccc(CCC(=O)O)cc1
InChIInChI=1S/C19H21N3O2/c1-19(2,3)17-16(22-12-4-11-20-18(22)21-17)14-8-5-13(6-9-14)7-10-15(23)24/h4-6,8-9,11-12H,7,10H2,1-3H3,(H,23,24)
InChIKeyPWXYFIYPQIYIJB-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.71
Rot. Bonds4

About 3-[4-(2-tert-butylimidazo[1,2-a]pyrimidin-3-yl)phenyl]propanoic acid

3-[4-(2-tert-butylimidazo[1,2-a]pyrimidin-3-yl)phenyl]propanoic acid (PubChem CID 122563846) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-[4-(2-tert-butylimidazo[1,2-a]pyrimidin-3-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-(2-tert-butylimidazo[1,2-a]pyrimidin-3-yl)phenyl]propanoic acid
PubChem CID122563846
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name3-[4-(2-tert-butylimidazo[1,2-a]pyrimidin-3-yl)phenyl]propanoic acid
SMILESCC(C)(C)c1nc2ncccn2c1-c1ccc(CCC(=O)O)cc1
InChIInChI=1S/C19H21N3O2/c1-19(2,3)17-16(22-12-4-11-20-18(22)21-17)14-8-5-13(6-9-14)7-10-15(23)24/h4-6,8-9,11-12H,7,10H2,1-3H3,(H,23,24)
InChIKeyPWXYFIYPQIYIJB-UHFFFAOYSA-N
XLogP3.71
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;3-(4-phenylphenyl)propanoic acid
CID 91257280
2-methyl-3-(4-methylphenyl)imidazo[1,2-a]pyrimidine
CID 71059779
2-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]acetic acid
CID 82304788
3-[4-(4-hydroxyphenyl)phenyl]propanoic acid
CID 822003
2-amino-2-(2-tert-butylimidazo[1,2-a]pyrimidin-3-yl)ethanol
CID 83841700
3-[4-(4-pyridin-3-ylphenyl)phenyl]propanoic acid
CID 171697660
3-[4-(pyridin-2-ylmethyl)phenyl]propanoic acid
CID 19840714
3-[4-(2-tert-butyltetrazol-5-yl)phenyl]propanoic acid
CID 14888730
3-[4-[(1-methylimidazol-2-yl)methyl]phenyl]propanoic acid
CID 117362604
3-[4-(2-phenylethyl)phenyl]propanoic acid
CID 54586982
3-[2-(4-tert-butylphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 82035109
3-[4-(3-nitro-2-pyridinyl)phenyl]propanoic acid
CID 70658634

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-tert-butylimidazo[1,2-a]pyrimidin-3-yl)phenyl]propanoic acid?
The IUPAC name of 3-[4-(2-tert-butylimidazo[1,2-a]pyrimidin-3-yl)phenyl]propanoic acid (CID 122563846) is 3-[4-(2-tert-butylimidazo[1,2-a]pyrimidin-3-yl)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-(2-tert-butylimidazo[1,2-a]pyrimidin-3-yl)phenyl]propanoic acid?
The canonical SMILES for 3-[4-(2-tert-butylimidazo[1,2-a]pyrimidin-3-yl)phenyl]propanoic acid is CC(C)(C)c1nc2ncccn2c1-c1ccc(CCC(=O)O)cc1.
What is the InChIKey of 3-[4-(2-tert-butylimidazo[1,2-a]pyrimidin-3-yl)phenyl]propanoic acid?
The InChIKey is PWXYFIYPQIYIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-19(2,3)17-16(22-12-4-11-20-18(22)21-17)14-8-5-13(6-9-14)7-10-15(23)24/h4-6,8-9,11-12H,7,10H2,1-3H3,(H,23,24).
What are the key properties of 3-[4-(2-tert-butylimidazo[1,2-a]pyrimidin-3-yl)phenyl]propanoic acid?
3-[4-(2-tert-butylimidazo[1,2-a]pyrimidin-3-yl)phenyl]propanoic acid has a molecular weight of 323.40 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-tert-butylimidazo[1,2-a]pyrimidin-3-yl)phenyl]propanoic acid is sourced from PubChem (CID 122563846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).