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

C25H19Cl2FN6 — CID 59106809

IUPAC6-[3-[[2-(2,4-dichlorophenyl)-6-(2-fluorophenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCCCNc2cc(-c3ccccc3F)nc(-c3ccc(Cl)cc3Cl)n2)nc1
InChIInChI=1S/C25H19Cl2FN6/c26-17-7-8-18(20(27)12-17)25-33-22(19-4-1-2-5-21(19)28)13-24(34-25)31-11-3-10-30-23-9-6-16(14-29)15-32-23/h1-2,4-9,12-13,15H,3,10-11H2,(H,30,32)(H,31,33,34)
InChIKeyQETNZGWDFWLXFL-UHFFFAOYSA-N
MW493.37 g/mol
LogP6.44
Rot. Bonds8

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

6-[3-[[2-(2,4-dichlorophenyl)-6-(2-fluorophenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile (PubChem CID 59106809) has the molecular formula C25H19Cl2FN6 and a molecular weight of 493.37 g/mol. Its IUPAC name is 6-[3-[[2-(2,4-dichlorophenyl)-6-(2-fluorophenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[3-[[2-(2,4-dichlorophenyl)-6-(2-fluorophenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile
PubChem CID59106809
Molecular FormulaC25H19Cl2FN6
Molecular Weight493.37 g/mol
Exact Mass492.10
IUPAC Name6-[3-[[2-(2,4-dichlorophenyl)-6-(2-fluorophenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCCCNc2cc(-c3ccccc3F)nc(-c3ccc(Cl)cc3Cl)n2)nc1
InChIInChI=1S/C25H19Cl2FN6/c26-17-7-8-18(20(27)12-17)25-33-22(19-4-1-2-5-21(19)28)13-24(34-25)31-11-3-10-30-23-9-6-16(14-29)15-32-23/h1-2,4-9,12-13,15H,3,10-11H2,(H,30,32)(H,31,33,34)
InChIKeyQETNZGWDFWLXFL-UHFFFAOYSA-N
XLogP6.44
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.37
LogP ≤ 56.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[3-[[2-(2,4-dichlorophenyl)-6-(2-fluorophenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile with MolForge

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Related Compounds

Laduviglusib
CID 9956119
Htl14242
CID 86763358
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-fluorophenyl)pyrimidin-4-amine
CID 10126186
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(3-fluorophenyl)pyrimidin-4-amine
CID 10286977
4-N-[(2,4-dichlorophenyl)methyl]-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine
CID 86277841
5-Chloro-6-methyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 2740174
4-[[4-(2,4,6-Trichloroanilino)pyrimidin-2-yl]amino]benzonitrile
CID 488780
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(2-fluorophenyl)pyrimidin-4-amine
CID 10215628
Cdk9-IN-2
CID 49855228
US9205085, Msx-221
CID 49857488
4-(Isopropylamino)-6-phenyl-2-(3-pyridinyl)-5-pyrimidinecarbonitrile
CID 1480459
4-(4-Chlorophenyl)-6-(dimethylamino)-2-(3-pyridinyl)-5-pyrimidinecarbonitrile
CID 1480439

Frequently Asked Questions

What is the IUPAC name of 6-[3-[[2-(2,4-dichlorophenyl)-6-(2-fluorophenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[3-[[2-(2,4-dichlorophenyl)-6-(2-fluorophenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile (CID 59106809) is 6-[3-[[2-(2,4-dichlorophenyl)-6-(2-fluorophenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[3-[[2-(2,4-dichlorophenyl)-6-(2-fluorophenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[3-[[2-(2,4-dichlorophenyl)-6-(2-fluorophenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile is N#Cc1ccc(NCCCNc2cc(-c3ccccc3F)nc(-c3ccc(Cl)cc3Cl)n2)nc1.
What is the InChIKey of 6-[3-[[2-(2,4-dichlorophenyl)-6-(2-fluorophenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile?
The InChIKey is QETNZGWDFWLXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2FN6/c26-17-7-8-18(20(27)12-17)25-33-22(19-4-1-2-5-21(19)28)13-24(34-25)31-11-3-10-30-23-9-6-16(14-29)15-32-23/h1-2,4-9,12-13,15H,3,10-11H2,(H,30,32)(H,31,33,34).
What are the key properties of 6-[3-[[2-(2,4-dichlorophenyl)-6-(2-fluorophenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile?
6-[3-[[2-(2,4-dichlorophenyl)-6-(2-fluorophenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile has a molecular weight of 493.37 g/mol, XLogP of 6.44, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[[2-(2,4-dichlorophenyl)-6-(2-fluorophenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 59106809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).