2-[[6-[4-(2-phenylethoxy)phenyl]pyrimidin-4-yl]amino]-3-pyridin-2-ylpropanoic acid

C26H24N4O3 — CID 58629336

IUPAC2-[[6-[4-(2-phenylethoxy)phenyl]pyrimidin-4-yl]amino]-3-pyridin-2-ylpropanoic acid
SMILESO=C(O)C(Cc1ccccn1)Nc1cc(-c2ccc(OCCc3ccccc3)cc2)ncn1
InChIInChI=1S/C26H24N4O3/c31-26(32)24(16-21-8-4-5-14-27-21)30-25-17-23(28-18-29-25)20-9-11-22(12-10-20)33-15-13-19-6-2-1-3-7-19/h1-12,14,17-18,24H,13,15-16H2,(H,31,32)(H,28,29,30)
InChIKeyJEHSGHRHLCWGMV-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.27
Rot. Bonds10

About 2-[[6-[4-(2-phenylethoxy)phenyl]pyrimidin-4-yl]amino]-3-pyridin-2-ylpropanoic acid

2-[[6-[4-(2-phenylethoxy)phenyl]pyrimidin-4-yl]amino]-3-pyridin-2-ylpropanoic acid (PubChem CID 58629336) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 2-[[6-[4-(2-phenylethoxy)phenyl]pyrimidin-4-yl]amino]-3-pyridin-2-ylpropanoic acid.

Molecular Properties

Compound Name2-[[6-[4-(2-phenylethoxy)phenyl]pyrimidin-4-yl]amino]-3-pyridin-2-ylpropanoic acid
PubChem CID58629336
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name2-[[6-[4-(2-phenylethoxy)phenyl]pyrimidin-4-yl]amino]-3-pyridin-2-ylpropanoic acid
SMILESO=C(O)C(Cc1ccccn1)Nc1cc(-c2ccc(OCCc3ccccc3)cc2)ncn1
InChIInChI=1S/C26H24N4O3/c31-26(32)24(16-21-8-4-5-14-27-21)30-25-17-23(28-18-29-25)20-9-11-22(12-10-20)33-15-13-19-6-2-1-3-7-19/h1-12,14,17-18,24H,13,15-16H2,(H,31,32)(H,28,29,30)
InChIKeyJEHSGHRHLCWGMV-UHFFFAOYSA-N
XLogP4.27
TPSA97.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[6-[4-(2-phenylethoxy)phenyl]pyrimidin-4-yl]amino]-3-pyridin-2-ylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenyl-2-[[6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]amino]propanoic acid
CID 58629329
3-phenyl-2-[[6-[4-(pyridin-4-ylmethoxy)phenyl]pyrimidin-4-yl]amino]propanoic acid
CID 58629209
3-phenyl-2-[[6-[4-(2-phenylethynyl)phenyl]pyrimidin-4-yl]amino]propanoic acid
CID 58629225
2-[[6-[4-[(2-fluorophenyl)methoxy]phenyl]pyrimidin-4-yl]amino]-3-phenylpropanoic acid
CID 58629333
2-[[5-fluoro-6-(4-phenylmethoxyphenyl)pyrimidin-4-yl]amino]-3-pyridin-2-ylpropanoic acid
CID 58629312
2-[[6-(4-phenylmethoxyphenyl)pyrimidin-4-yl]amino]heptanoic acid
CID 142893994
2-[[6-[4-[(4-fluorophenyl)sulfonylamino]phenyl]pyrimidin-4-yl]amino]-3-phenylpropanoic acid
CID 58629155
(Z)-but-2-ene;ethane;methyl 3-phenyl-2-[[6-[4-(2-phenylethyl)phenyl]pyrimidin-4-yl]amino]propanoate
CID 142893965
ethyl (2S)-3-(4-aminophenyl)-2-[[6-(4-phenylmethoxyphenyl)pyrimidin-4-yl]amino]propanoate
CID 141092456
2-[[6-[4-(benzenesulfonamido)phenyl]pyrimidin-4-yl]amino]-3-phenylpropanoic acid;methyl 2-[[6-[4-(benzenesulfonamido)phenyl]pyrimidin-4-yl]amino]-3-phenylpropanoate
CID 157342760
2-(propanoylamino)-3-pyridin-2-ylpropanoic acid
CID 141086627
methyl (2S)-2-[[6-(4-formylphenyl)pyrimidin-4-yl]amino]-3-phenylpropanoate
CID 86604686

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[4-(2-phenylethoxy)phenyl]pyrimidin-4-yl]amino]-3-pyridin-2-ylpropanoic acid?
The IUPAC name of 2-[[6-[4-(2-phenylethoxy)phenyl]pyrimidin-4-yl]amino]-3-pyridin-2-ylpropanoic acid (CID 58629336) is 2-[[6-[4-(2-phenylethoxy)phenyl]pyrimidin-4-yl]amino]-3-pyridin-2-ylpropanoic acid.
What is the SMILES notation for 2-[[6-[4-(2-phenylethoxy)phenyl]pyrimidin-4-yl]amino]-3-pyridin-2-ylpropanoic acid?
The canonical SMILES for 2-[[6-[4-(2-phenylethoxy)phenyl]pyrimidin-4-yl]amino]-3-pyridin-2-ylpropanoic acid is O=C(O)C(Cc1ccccn1)Nc1cc(-c2ccc(OCCc3ccccc3)cc2)ncn1.
What is the InChIKey of 2-[[6-[4-(2-phenylethoxy)phenyl]pyrimidin-4-yl]amino]-3-pyridin-2-ylpropanoic acid?
The InChIKey is JEHSGHRHLCWGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c31-26(32)24(16-21-8-4-5-14-27-21)30-25-17-23(28-18-29-25)20-9-11-22(12-10-20)33-15-13-19-6-2-1-3-7-19/h1-12,14,17-18,24H,13,15-16H2,(H,31,32)(H,28,29,30).
What are the key properties of 2-[[6-[4-(2-phenylethoxy)phenyl]pyrimidin-4-yl]amino]-3-pyridin-2-ylpropanoic acid?
2-[[6-[4-(2-phenylethoxy)phenyl]pyrimidin-4-yl]amino]-3-pyridin-2-ylpropanoic acid has a molecular weight of 440.50 g/mol, XLogP of 4.27, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[4-(2-phenylethoxy)phenyl]pyrimidin-4-yl]amino]-3-pyridin-2-ylpropanoic acid is sourced from PubChem (CID 58629336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).