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

C24H24Cl2N6 — CID 10127794

IUPAC6-[2-[[6-cyclohexyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCCNc2cc(C3CCCCC3)nc(-c3ccc(Cl)cc3Cl)n2)nc1
InChIInChI=1S/C24H24Cl2N6/c25-18-7-8-19(20(26)12-18)24-31-21(17-4-2-1-3-5-17)13-23(32-24)29-11-10-28-22-9-6-16(14-27)15-30-22/h6-9,12-13,15,17H,1-5,10-11H2,(H,28,30)(H,29,31,32)
InChIKeyDYANKXCZNVNJMW-UHFFFAOYSA-N
MW467.40 g/mol
LogP6.29
Rot. Bonds7

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

6-[2-[[6-cyclohexyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile (PubChem CID 10127794) has the molecular formula C24H24Cl2N6 and a molecular weight of 467.40 g/mol. Its IUPAC name is 6-[2-[[6-cyclohexyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-[[6-cyclohexyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile
PubChem CID10127794
Molecular FormulaC24H24Cl2N6
Molecular Weight467.40 g/mol
Exact Mass466.14
IUPAC Name6-[2-[[6-cyclohexyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCCNc2cc(C3CCCCC3)nc(-c3ccc(Cl)cc3Cl)n2)nc1
InChIInChI=1S/C24H24Cl2N6/c25-18-7-8-19(20(26)12-18)24-31-21(17-4-2-1-3-5-17)13-23(32-24)29-11-10-28-22-9-6-16(14-27)15-30-22/h6-9,12-13,15,17H,1-5,10-11H2,(H,28,30)(H,29,31,32)
InChIKeyDYANKXCZNVNJMW-UHFFFAOYSA-N
XLogP6.29
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.40
LogP ≤ 56.29
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-[[6-cyclohexyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-[[6-cyclohexyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile (CID 10127794) is 6-[2-[[6-cyclohexyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-[[6-cyclohexyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-[[6-cyclohexyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile is N#Cc1ccc(NCCNc2cc(C3CCCCC3)nc(-c3ccc(Cl)cc3Cl)n2)nc1.
What is the InChIKey of 6-[2-[[6-cyclohexyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile?
The InChIKey is DYANKXCZNVNJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N6/c25-18-7-8-19(20(26)12-18)24-31-21(17-4-2-1-3-5-17)13-23(32-24)29-11-10-28-22-9-6-16(14-27)15-30-22/h6-9,12-13,15,17H,1-5,10-11H2,(H,28,30)(H,29,31,32).
What are the key properties of 6-[2-[[6-cyclohexyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile?
6-[2-[[6-cyclohexyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile has a molecular weight of 467.40 g/mol, XLogP of 6.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[6-cyclohexyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 10127794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).