1-[4-[[4-[2-(2-fluorophenyl)ethylamino]pyrimidin-2-yl]amino]phenyl]ethanone

C20H19FN4O — CID 112894525

IUPAC1-[4-[[4-[2-(2-fluorophenyl)ethylamino]pyrimidin-2-yl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2nccc(NCCc3ccccc3F)n2)cc1
InChIInChI=1S/C20H19FN4O/c1-14(26)15-6-8-17(9-7-15)24-20-23-13-11-19(25-20)22-12-10-16-4-2-3-5-18(16)21/h2-9,11,13H,10,12H2,1H3,(H2,22,23,24,25)
InChIKeyMMFJPDSTTBVHCE-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.22
Rot. Bonds7

About 1-[4-[[4-[2-(2-fluorophenyl)ethylamino]pyrimidin-2-yl]amino]phenyl]ethanone

1-[4-[[4-[2-(2-fluorophenyl)ethylamino]pyrimidin-2-yl]amino]phenyl]ethanone (PubChem CID 112894525) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 1-[4-[[4-[2-(2-fluorophenyl)ethylamino]pyrimidin-2-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-[2-(2-fluorophenyl)ethylamino]pyrimidin-2-yl]amino]phenyl]ethanone
PubChem CID112894525
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name1-[4-[[4-[2-(2-fluorophenyl)ethylamino]pyrimidin-2-yl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2nccc(NCCc3ccccc3F)n2)cc1
InChIInChI=1S/C20H19FN4O/c1-14(26)15-6-8-17(9-7-15)24-20-23-13-11-19(25-20)22-12-10-16-4-2-3-5-18(16)21/h2-9,11,13H,10,12H2,1H3,(H2,22,23,24,25)
InChIKeyMMFJPDSTTBVHCE-UHFFFAOYSA-N
XLogP4.22
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-[[4-[2-(2-fluorophenyl)ethylamino]pyrimidin-2-yl]amino]phenyl]ethanone 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

4-N-[2-(2-fluorophenyl)ethyl]-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891248
1-[4-[[4-[3-(dimethylamino)propylamino]pyrimidin-2-yl]amino]phenyl]ethanone
CID 112887688
1-[4-[[4-(2,6-diethylanilino)pyrimidin-2-yl]amino]phenyl]ethanone
CID 112903235
1-[4-[[4-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]ethanone
CID 112885491
N-[4-[[4-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112920611
1-[4-[[4-(4-tert-butylanilino)pyrimidin-2-yl]amino]phenyl]ethanone
CID 112903389
1-[4-[[2-(4-phenoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112905673
N-(4-acetylphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284391
4-N-[(2-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine
CID 112891132
1-[4-[(4-hydrazinylpyrimidin-2-yl)amino]phenyl]ethanone
CID 94672761
N-[4-[[4-[2-(4-fluorophenyl)ethylamino]pyrimidin-2-yl]amino]phenyl]acetamide
CID 112894757
N-(4-acetylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109121967

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[2-(2-fluorophenyl)ethylamino]pyrimidin-2-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[4-[[4-[2-(2-fluorophenyl)ethylamino]pyrimidin-2-yl]amino]phenyl]ethanone (CID 112894525) is 1-[4-[[4-[2-(2-fluorophenyl)ethylamino]pyrimidin-2-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[4-[2-(2-fluorophenyl)ethylamino]pyrimidin-2-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[[4-[2-(2-fluorophenyl)ethylamino]pyrimidin-2-yl]amino]phenyl]ethanone is CC(=O)c1ccc(Nc2nccc(NCCc3ccccc3F)n2)cc1.
What is the InChIKey of 1-[4-[[4-[2-(2-fluorophenyl)ethylamino]pyrimidin-2-yl]amino]phenyl]ethanone?
The InChIKey is MMFJPDSTTBVHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-14(26)15-6-8-17(9-7-15)24-20-23-13-11-19(25-20)22-12-10-16-4-2-3-5-18(16)21/h2-9,11,13H,10,12H2,1H3,(H2,22,23,24,25).
What are the key properties of 1-[4-[[4-[2-(2-fluorophenyl)ethylamino]pyrimidin-2-yl]amino]phenyl]ethanone?
1-[4-[[4-[2-(2-fluorophenyl)ethylamino]pyrimidin-2-yl]amino]phenyl]ethanone has a molecular weight of 350.40 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[2-(2-fluorophenyl)ethylamino]pyrimidin-2-yl]amino]phenyl]ethanone is sourced from PubChem (CID 112894525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).