6-[2-[[2-(2,4-dichlorophenyl)-6-(2-fluorophenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile

C24H17Cl2FN6 — CID 59106766

IUPAC6-[2-[[2-(2,4-dichlorophenyl)-6-(2-fluorophenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCCNc2cc(-c3ccccc3F)nc(-c3ccc(Cl)cc3Cl)n2)nc1
InChIInChI=1S/C24H17Cl2FN6/c25-16-6-7-17(19(26)11-16)24-32-21(18-3-1-2-4-20(18)27)12-23(33-24)30-10-9-29-22-8-5-15(13-28)14-31-22/h1-8,11-12,14H,9-10H2,(H,29,31)(H,30,32,33)
InChIKeyWNKMPEKUHGZBFA-UHFFFAOYSA-N
MW479.35 g/mol
LogP6.05
Rot. Bonds7

About 6-[2-[[2-(2,4-dichlorophenyl)-6-(2-fluorophenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile

6-[2-[[2-(2,4-dichlorophenyl)-6-(2-fluorophenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile (PubChem CID 59106766) has the molecular formula C24H17Cl2FN6 and a molecular weight of 479.35 g/mol. Its IUPAC name is 6-[2-[[2-(2,4-dichlorophenyl)-6-(2-fluorophenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-[[2-(2,4-dichlorophenyl)-6-(2-fluorophenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile
PubChem CID59106766
Molecular FormulaC24H17Cl2FN6
Molecular Weight479.35 g/mol
Exact Mass478.09
IUPAC Name6-[2-[[2-(2,4-dichlorophenyl)-6-(2-fluorophenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCCNc2cc(-c3ccccc3F)nc(-c3ccc(Cl)cc3Cl)n2)nc1
InChIInChI=1S/C24H17Cl2FN6/c25-16-6-7-17(19(26)11-16)24-32-21(18-3-1-2-4-20(18)27)12-23(33-24)30-10-9-29-22-8-5-15(13-28)14-31-22/h1-8,11-12,14H,9-10H2,(H,29,31)(H,30,32,33)
InChIKeyWNKMPEKUHGZBFA-UHFFFAOYSA-N
XLogP6.05
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.35
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[[2-(2,4-dichlorophenyl)-6-(2-fluorophenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-[[2-(2,4-dichlorophenyl)-6-(2-fluorophenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile (CID 59106766) is 6-[2-[[2-(2,4-dichlorophenyl)-6-(2-fluorophenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-[[2-(2,4-dichlorophenyl)-6-(2-fluorophenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-[[2-(2,4-dichlorophenyl)-6-(2-fluorophenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile is N#Cc1ccc(NCCNc2cc(-c3ccccc3F)nc(-c3ccc(Cl)cc3Cl)n2)nc1.
What is the InChIKey of 6-[2-[[2-(2,4-dichlorophenyl)-6-(2-fluorophenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile?
The InChIKey is WNKMPEKUHGZBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2FN6/c25-16-6-7-17(19(26)11-16)24-32-21(18-3-1-2-4-20(18)27)12-23(33-24)30-10-9-29-22-8-5-15(13-28)14-31-22/h1-8,11-12,14H,9-10H2,(H,29,31)(H,30,32,33).
What are the key properties of 6-[2-[[2-(2,4-dichlorophenyl)-6-(2-fluorophenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile?
6-[2-[[2-(2,4-dichlorophenyl)-6-(2-fluorophenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile has a molecular weight of 479.35 g/mol, XLogP of 6.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[2-(2,4-dichlorophenyl)-6-(2-fluorophenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 59106766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).