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

C20H15Cl2F3N6 — CID 59106793

IUPAC6-[3-[[2-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCCCNc2cc(C(F)(F)F)nc(-c3ccc(Cl)cc3Cl)n2)nc1
InChIInChI=1S/C20H15Cl2F3N6/c21-13-3-4-14(15(22)8-13)19-30-16(20(23,24)25)9-18(31-19)28-7-1-6-27-17-5-2-12(10-26)11-29-17/h2-5,8-9,11H,1,6-7H2,(H,27,29)(H,28,30,31)
InChIKeyUEVCYRGWWZYHEC-UHFFFAOYSA-N
MW467.28 g/mol
LogP5.65
Rot. Bonds7

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

6-[3-[[2-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile (PubChem CID 59106793) has the molecular formula C20H15Cl2F3N6 and a molecular weight of 467.28 g/mol. Its IUPAC name is 6-[3-[[2-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[3-[[2-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile
PubChem CID59106793
Molecular FormulaC20H15Cl2F3N6
Molecular Weight467.28 g/mol
Exact Mass466.07
IUPAC Name6-[3-[[2-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCCCNc2cc(C(F)(F)F)nc(-c3ccc(Cl)cc3Cl)n2)nc1
InChIInChI=1S/C20H15Cl2F3N6/c21-13-3-4-14(15(22)8-13)19-30-16(20(23,24)25)9-18(31-19)28-7-1-6-27-17-5-2-12(10-26)11-29-17/h2-5,8-9,11H,1,6-7H2,(H,27,29)(H,28,30,31)
InChIKeyUEVCYRGWWZYHEC-UHFFFAOYSA-N
XLogP5.65
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.28
LogP ≤ 55.65
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-(trifluoromethyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile with MolForge

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Related Compounds

Laduviglusib
CID 9956119
Htl14242
CID 86763358
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
N-[5-Chloro-6-Methyl-2-(Pyridin-2-Yl)pyrimidin-4-Yl]-N'-[5-(Trifluoromethyl)pyridin-2-Yl]ethane-1,2-Diamine
CID 2725966
US9205085, Msx-221
CID 49857488
2-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyridine-4-carbonitrile
CID 67383227
3-Chloro-4-fluoro-5-[6-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]benzonitrile
CID 91668258
4-(Isopropylamino)-6-phenyl-2-(3-pyridinyl)-5-pyrimidinecarbonitrile
CID 1480459
4-(4-Chlorophenyl)-6-(dimethylamino)-2-(3-pyridinyl)-5-pyrimidinecarbonitrile
CID 1480439
5-(4-{[(2-Chloropyridin-4-yl)methyl]amino}phenyl)-6-ethylpyrimidine-2,4-diamine
CID 11537683

Frequently Asked Questions

What is the IUPAC name of 6-[3-[[2-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[3-[[2-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile (CID 59106793) is 6-[3-[[2-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[3-[[2-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[3-[[2-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile is N#Cc1ccc(NCCCNc2cc(C(F)(F)F)nc(-c3ccc(Cl)cc3Cl)n2)nc1.
What is the InChIKey of 6-[3-[[2-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile?
The InChIKey is UEVCYRGWWZYHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2F3N6/c21-13-3-4-14(15(22)8-13)19-30-16(20(23,24)25)9-18(31-19)28-7-1-6-27-17-5-2-12(10-26)11-29-17/h2-5,8-9,11H,1,6-7H2,(H,27,29)(H,28,30,31).
What are the key properties of 6-[3-[[2-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile?
6-[3-[[2-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile has a molecular weight of 467.28 g/mol, XLogP of 5.65, 7 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-(trifluoromethyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 59106793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).