2-[N-ethyl-4-(3-phenyl-N-pyrimidin-4-ylanilino)anilino]ethanol

C26H26N4O — CID 91566746

IUPAC2-[N-ethyl-4-(3-phenyl-N-pyrimidin-4-ylanilino)anilino]ethanol
SMILESCCN(CCO)c1ccc(N(c2cccc(-c3ccccc3)c2)c2ccncn2)cc1
InChIInChI=1S/C26H26N4O/c1-2-29(17-18-31)23-11-13-24(14-12-23)30(26-15-16-27-20-28-26)25-10-6-9-22(19-25)21-7-4-3-5-8-21/h3-16,19-20,31H,2,17-18H2,1H3
InChIKeyQUTICPQAVBYSOB-UHFFFAOYSA-N
MW410.52 g/mol
LogP5.43
Rot. Bonds8

About 2-[N-ethyl-4-(3-phenyl-N-pyrimidin-4-ylanilino)anilino]ethanol

2-[N-ethyl-4-(3-phenyl-N-pyrimidin-4-ylanilino)anilino]ethanol (PubChem CID 91566746) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-[N-ethyl-4-(3-phenyl-N-pyrimidin-4-ylanilino)anilino]ethanol.

Molecular Properties

Compound Name2-[N-ethyl-4-(3-phenyl-N-pyrimidin-4-ylanilino)anilino]ethanol
PubChem CID91566746
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC Name2-[N-ethyl-4-(3-phenyl-N-pyrimidin-4-ylanilino)anilino]ethanol
SMILESCCN(CCO)c1ccc(N(c2cccc(-c3ccccc3)c2)c2ccncn2)cc1
InChIInChI=1S/C26H26N4O/c1-2-29(17-18-31)23-11-13-24(14-12-23)30(26-15-16-27-20-28-26)25-10-6-9-22(19-25)21-7-4-3-5-8-21/h3-16,19-20,31H,2,17-18H2,1H3
InChIKeyQUTICPQAVBYSOB-UHFFFAOYSA-N
XLogP5.43
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-[N-ethyl-4-(3-phenyl-N-pyrimidin-4-ylanilino)anilino]ethanol 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

2-(N-ethylanilino)ethanol;2-(N-ethyl-3-methylanilino)ethanol
CID 67646691
ethane;2-[N-ethyl-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol
CID 145062072
N,N-diphenyl-3-[3-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;ethane
CID 159114076
N,N-diphenyl-3-[4-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;N,N-diphenyl-3-[4-[3-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 159305688
N,3-diphenyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 22013506
N,3-diphenyl-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 59090384
1-N,1-N,4-N-triphenyl-4-N-[3-[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 131863770
3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline
CID 126731391
3-[4-(N-phenylanilino)phenyl]-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 126502501
N,N-diphenyl-3-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 118689272
N-phenyl-3-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline
CID 166591076
N-(4-methylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 58410428

Frequently Asked Questions

What is the IUPAC name of 2-[N-ethyl-4-(3-phenyl-N-pyrimidin-4-ylanilino)anilino]ethanol?
The IUPAC name of 2-[N-ethyl-4-(3-phenyl-N-pyrimidin-4-ylanilino)anilino]ethanol (CID 91566746) is 2-[N-ethyl-4-(3-phenyl-N-pyrimidin-4-ylanilino)anilino]ethanol.
What is the SMILES notation for 2-[N-ethyl-4-(3-phenyl-N-pyrimidin-4-ylanilino)anilino]ethanol?
The canonical SMILES for 2-[N-ethyl-4-(3-phenyl-N-pyrimidin-4-ylanilino)anilino]ethanol is CCN(CCO)c1ccc(N(c2cccc(-c3ccccc3)c2)c2ccncn2)cc1.
What is the InChIKey of 2-[N-ethyl-4-(3-phenyl-N-pyrimidin-4-ylanilino)anilino]ethanol?
The InChIKey is QUTICPQAVBYSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c1-2-29(17-18-31)23-11-13-24(14-12-23)30(26-15-16-27-20-28-26)25-10-6-9-22(19-25)21-7-4-3-5-8-21/h3-16,19-20,31H,2,17-18H2,1H3.
What are the key properties of 2-[N-ethyl-4-(3-phenyl-N-pyrimidin-4-ylanilino)anilino]ethanol?
2-[N-ethyl-4-(3-phenyl-N-pyrimidin-4-ylanilino)anilino]ethanol has a molecular weight of 410.52 g/mol, XLogP of 5.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-ethyl-4-(3-phenyl-N-pyrimidin-4-ylanilino)anilino]ethanol is sourced from PubChem (CID 91566746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).