4-[2-(4-aminophenyl)-6-pyridin-3-ylpyrimidin-4-yl]aniline

C21H17N5 — CID 630923

IUPAC4-[2-(4-aminophenyl)-6-pyridin-3-ylpyrimidin-4-yl]aniline
SMILESNc1ccc(-c2cc(-c3cccnc3)nc(-c3ccc(N)cc3)n2)cc1
InChIInChI=1S/C21H17N5/c22-17-7-3-14(4-8-17)19-12-20(16-2-1-11-24-13-16)26-21(25-19)15-5-9-18(23)10-6-15/h1-13H,22-23H2
InChIKeyVOWLLFJYKSPVLM-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.04
Rot. Bonds3

About 4-[2-(4-aminophenyl)-6-pyridin-3-ylpyrimidin-4-yl]aniline

4-[2-(4-aminophenyl)-6-pyridin-3-ylpyrimidin-4-yl]aniline (PubChem CID 630923) has the molecular formula C21H17N5 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-[2-(4-aminophenyl)-6-pyridin-3-ylpyrimidin-4-yl]aniline.

Molecular Properties

Compound Name4-[2-(4-aminophenyl)-6-pyridin-3-ylpyrimidin-4-yl]aniline
PubChem CID630923
Molecular FormulaC21H17N5
Molecular Weight339.40 g/mol
Exact Mass339.15
IUPAC Name4-[2-(4-aminophenyl)-6-pyridin-3-ylpyrimidin-4-yl]aniline
SMILESNc1ccc(-c2cc(-c3cccnc3)nc(-c3ccc(N)cc3)n2)cc1
InChIInChI=1S/C21H17N5/c22-17-7-3-14(4-8-17)19-12-20(16-2-1-11-24-13-16)26-21(25-19)15-5-9-18(23)10-6-15/h1-13H,22-23H2
InChIKeyVOWLLFJYKSPVLM-UHFFFAOYSA-N
XLogP4.04
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2,6-diphenylpyrimidin-4-yl)-6-[4-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridin-3-ylpyrimidin-4-yl]phenyl]-2-pyridin-3-ylpyrimidine
CID 167146178
4-[2-(4-aminophenyl)-6-phenylpyrimidin-4-yl]aniline
CID 630837
4-(4,6-diphenylpyrimidin-2-yl)aniline
CID 629613
2,4-diphenyl-6-[3-[4-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]phenyl]-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-pyridin-3-yl-1,3,5-triazine
CID 163812765
4-pyridin-3-ylaniline;dihydrochloride
CID 154574926
4,6-bis(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylpyrimidine
CID 102345540
2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]pyrimidine
CID 165168520
4-(4-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 121384390
4,6-diphenyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2,6-dipyridin-3-yl-4-[3-(3-triphenylen-2-ylphenyl)phenyl]pyridine
CID 157417674
4-(4-phenylphenyl)-2-pyridin-4-yl-6-[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidine
CID 130465703
2,4,6-tris[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidine
CID 176586529
4-[4-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)phenyl]phenyl]-2-phenyl-6-pyridin-3-ylpyrimidine
CID 167411163

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-aminophenyl)-6-pyridin-3-ylpyrimidin-4-yl]aniline?
The IUPAC name of 4-[2-(4-aminophenyl)-6-pyridin-3-ylpyrimidin-4-yl]aniline (CID 630923) is 4-[2-(4-aminophenyl)-6-pyridin-3-ylpyrimidin-4-yl]aniline.
What is the SMILES notation for 4-[2-(4-aminophenyl)-6-pyridin-3-ylpyrimidin-4-yl]aniline?
The canonical SMILES for 4-[2-(4-aminophenyl)-6-pyridin-3-ylpyrimidin-4-yl]aniline is Nc1ccc(-c2cc(-c3cccnc3)nc(-c3ccc(N)cc3)n2)cc1.
What is the InChIKey of 4-[2-(4-aminophenyl)-6-pyridin-3-ylpyrimidin-4-yl]aniline?
The InChIKey is VOWLLFJYKSPVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5/c22-17-7-3-14(4-8-17)19-12-20(16-2-1-11-24-13-16)26-21(25-19)15-5-9-18(23)10-6-15/h1-13H,22-23H2.
What are the key properties of 4-[2-(4-aminophenyl)-6-pyridin-3-ylpyrimidin-4-yl]aniline?
4-[2-(4-aminophenyl)-6-pyridin-3-ylpyrimidin-4-yl]aniline has a molecular weight of 339.40 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-aminophenyl)-6-pyridin-3-ylpyrimidin-4-yl]aniline is sourced from PubChem (CID 630923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).