N-(3-fluorophenyl)-2,6-diphenylpyrimidin-4-amine

C22H16FN3 — CID 827706

IUPACN-(3-fluorophenyl)-2,6-diphenylpyrimidin-4-amine
SMILESFc1cccc(Nc2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C22H16FN3/c23-18-12-7-13-19(14-18)24-21-15-20(16-8-3-1-4-9-16)25-22(26-21)17-10-5-2-6-11-17/h1-15H,(H,24,25,26)
InChIKeyOHEJVZGORLMCTL-UHFFFAOYSA-N
MW341.39 g/mol
LogP5.69
Rot. Bonds4

About N-(3-fluorophenyl)-2,6-diphenylpyrimidin-4-amine

N-(3-fluorophenyl)-2,6-diphenylpyrimidin-4-amine (PubChem CID 827706) has the molecular formula C22H16FN3 and a molecular weight of 341.39 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2,6-diphenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2,6-diphenylpyrimidin-4-amine
PubChem CID827706
Molecular FormulaC22H16FN3
Molecular Weight341.39 g/mol
Exact Mass341.13
IUPAC NameN-(3-fluorophenyl)-2,6-diphenylpyrimidin-4-amine
SMILESFc1cccc(Nc2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C22H16FN3/c23-18-12-7-13-19(14-18)24-21-15-20(16-8-3-1-4-9-16)25-22(26-21)17-10-5-2-6-11-17/h1-15H,(H,24,25,26)
InChIKeyOHEJVZGORLMCTL-UHFFFAOYSA-N
XLogP5.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.39
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-fluorophenyl)-2,6-diphenylpyrimidin-4-amine 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

N-(3-fluorophenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112934325
N-[(E)-(3-fluorophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine
CID 5332811
4-[(2,6-diphenylpyrimidin-4-yl)amino]benzenethiol
CID 70841690
6-phenyl-N,2-dipyridin-4-ylpyrimidin-4-amine
CID 4273597
4-[6-(3-fluoroanilino)-2-phenylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112881110
6-(3-fluoroanilino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 112854155
N-(3-fluorophenyl)-3-phenylaniline
CID 126702115
2-N-(3-fluorophenyl)-6-phenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112937394
3-fluoro-N-phenylaniline
CID 2774466
2-(4-bromophenyl)-N-[(E)-(3-fluorophenyl)methylideneamino]-6-phenylpyrimidin-4-amine
CID 5338828
N-methyl-2,6-diphenylpyrimidin-4-amine
CID 4713922
3-N-(3-fluorophenyl)-6-phenyl-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine
CID 23634406

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2,6-diphenylpyrimidin-4-amine?
The IUPAC name of N-(3-fluorophenyl)-2,6-diphenylpyrimidin-4-amine (CID 827706) is N-(3-fluorophenyl)-2,6-diphenylpyrimidin-4-amine.
What is the SMILES notation for N-(3-fluorophenyl)-2,6-diphenylpyrimidin-4-amine?
The canonical SMILES for N-(3-fluorophenyl)-2,6-diphenylpyrimidin-4-amine is Fc1cccc(Nc2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of N-(3-fluorophenyl)-2,6-diphenylpyrimidin-4-amine?
The InChIKey is OHEJVZGORLMCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3/c23-18-12-7-13-19(14-18)24-21-15-20(16-8-3-1-4-9-16)25-22(26-21)17-10-5-2-6-11-17/h1-15H,(H,24,25,26).
What are the key properties of N-(3-fluorophenyl)-2,6-diphenylpyrimidin-4-amine?
N-(3-fluorophenyl)-2,6-diphenylpyrimidin-4-amine has a molecular weight of 341.39 g/mol, XLogP of 5.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2,6-diphenylpyrimidin-4-amine is sourced from PubChem (CID 827706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).