4-[2-(4-aminophenyl)-6-phenylpyrimidin-4-yl]aniline

C22H18N4 — CID 630837

IUPAC4-[2-(4-aminophenyl)-6-phenylpyrimidin-4-yl]aniline
SMILESNc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(N)cc3)n2)cc1
InChIInChI=1S/C22H18N4/c23-18-10-6-16(7-11-18)21-14-20(15-4-2-1-3-5-15)25-22(26-21)17-8-12-19(24)13-9-17/h1-14H,23-24H2
InChIKeyZTLKRDXZTBITGV-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.64
Rot. Bonds3

About 4-[2-(4-aminophenyl)-6-phenylpyrimidin-4-yl]aniline

4-[2-(4-aminophenyl)-6-phenylpyrimidin-4-yl]aniline (PubChem CID 630837) has the molecular formula C22H18N4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-[2-(4-aminophenyl)-6-phenylpyrimidin-4-yl]aniline.

Molecular Properties

Compound Name4-[2-(4-aminophenyl)-6-phenylpyrimidin-4-yl]aniline
PubChem CID630837
Molecular FormulaC22H18N4
Molecular Weight338.41 g/mol
Exact Mass338.15
IUPAC Name4-[2-(4-aminophenyl)-6-phenylpyrimidin-4-yl]aniline
SMILESNc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(N)cc3)n2)cc1
InChIInChI=1S/C22H18N4/c23-18-10-6-16(7-11-18)21-14-20(15-4-2-1-3-5-15)25-22(26-21)17-8-12-19(24)13-9-17/h1-14H,23-24H2
InChIKeyZTLKRDXZTBITGV-UHFFFAOYSA-N
XLogP4.64
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4,6-diphenylpyrimidin-2-yl)aniline
CID 629613
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
4-[2-(4-aminophenyl)-6-pyridin-3-ylpyrimidin-4-yl]aniline
CID 630923
2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[4-[6-phenyl-2-[3-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 163428819
2,4-diphenyl-6-[4-[3-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;bis(2,4-diphenyl-6-[4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine)
CID 163726860
2-[3-[3-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 167381341
2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163428820
2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 163550723
2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 163457893
2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129099147
2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine
CID 58943731
2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;4-(4-bromophenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 154929027

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-aminophenyl)-6-phenylpyrimidin-4-yl]aniline?
The IUPAC name of 4-[2-(4-aminophenyl)-6-phenylpyrimidin-4-yl]aniline (CID 630837) is 4-[2-(4-aminophenyl)-6-phenylpyrimidin-4-yl]aniline.
What is the SMILES notation for 4-[2-(4-aminophenyl)-6-phenylpyrimidin-4-yl]aniline?
The canonical SMILES for 4-[2-(4-aminophenyl)-6-phenylpyrimidin-4-yl]aniline is Nc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(N)cc3)n2)cc1.
What is the InChIKey of 4-[2-(4-aminophenyl)-6-phenylpyrimidin-4-yl]aniline?
The InChIKey is ZTLKRDXZTBITGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4/c23-18-10-6-16(7-11-18)21-14-20(15-4-2-1-3-5-15)25-22(26-21)17-8-12-19(24)13-9-17/h1-14H,23-24H2.
What are the key properties of 4-[2-(4-aminophenyl)-6-phenylpyrimidin-4-yl]aniline?
4-[2-(4-aminophenyl)-6-phenylpyrimidin-4-yl]aniline has a molecular weight of 338.41 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-aminophenyl)-6-phenylpyrimidin-4-yl]aniline is sourced from PubChem (CID 630837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).