N-(3-imidazol-1-ylpropyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine;N-(3-imidazol-1-ylpropyl)-2-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine

C43H39F3N12 — CID 68719530

IUPACN-(3-imidazol-1-ylpropyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine;N-(3-imidazol-1-ylpropyl)-2-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)c1cccc(-c2cc(NCCCn3ccnc3)nc(-c3ccccn3)n2)c1.c1ccc(-c2cc(NCCCn3ccnc3)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C22H19F3N6.C21H20N6/c23-22(24,25)17-6-3-5-16(13-17)19-14-20(28-9-4-11-31-12-10-26-15-31)30-21(29-19)18-7-1-2-8-27-18;1-2-7-17(8-3-1)19-15-20(24-11-6-13-27-14-12-22-16-27)26-21(25-19)18-9-4-5-10-23-18/h1-3,5-8,10,12-15H,4,9,11H2,(H,28,29,30);1-5,7-10,12,14-16H,6,11,13H2,(H,24,25,26)
InChIKeyCKFZBXOWCFXOHF-UHFFFAOYSA-N
MW780.86 g/mol
LogP8.83
Rot. Bonds14

About N-(3-imidazol-1-ylpropyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine;N-(3-imidazol-1-ylpropyl)-2-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine

N-(3-imidazol-1-ylpropyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine;N-(3-imidazol-1-ylpropyl)-2-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 68719530) has the molecular formula C43H39F3N12 and a molecular weight of 780.86 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine;N-(3-imidazol-1-ylpropyl)-2-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine;N-(3-imidazol-1-ylpropyl)-2-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID68719530
Molecular FormulaC43H39F3N12
Molecular Weight780.86 g/mol
Exact Mass780.34
IUPAC NameN-(3-imidazol-1-ylpropyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine;N-(3-imidazol-1-ylpropyl)-2-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)c1cccc(-c2cc(NCCCn3ccnc3)nc(-c3ccccn3)n2)c1.c1ccc(-c2cc(NCCCn3ccnc3)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C22H19F3N6.C21H20N6/c23-22(24,25)17-6-3-5-16(13-17)19-14-20(28-9-4-11-31-12-10-26-15-31)30-21(29-19)18-7-1-2-8-27-18;1-2-7-17(8-3-1)19-15-20(24-11-6-13-27-14-12-22-16-27)26-21(25-19)18-9-4-5-10-23-18/h1-3,5-8,10,12-15H,4,9,11H2,(H,28,29,30);1-5,7-10,12,14-16H,6,11,13H2,(H,24,25,26)
InChIKeyCKFZBXOWCFXOHF-UHFFFAOYSA-N
XLogP8.83
TPSA137.04 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500780.86
LogP ≤ 58.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze N-(3-imidazol-1-ylpropyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine;N-(3-imidazol-1-ylpropyl)-2-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine;N-(3-imidazol-1-ylpropyl)-2-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine;N-(3-imidazol-1-ylpropyl)-2-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 68719530) is N-(3-imidazol-1-ylpropyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine;N-(3-imidazol-1-ylpropyl)-2-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine;N-(3-imidazol-1-ylpropyl)-2-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine;N-(3-imidazol-1-ylpropyl)-2-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine is FC(F)(F)c1cccc(-c2cc(NCCCn3ccnc3)nc(-c3ccccn3)n2)c1.c1ccc(-c2cc(NCCCn3ccnc3)nc(-c3ccccn3)n2)cc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine;N-(3-imidazol-1-ylpropyl)-2-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is CKFZBXOWCFXOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6.C21H20N6/c23-22(24,25)17-6-3-5-16(13-17)19-14-20(28-9-4-11-31-12-10-26-15-31)30-21(29-19)18-7-1-2-8-27-18;1-2-7-17(8-3-1)19-15-20(24-11-6-13-27-14-12-22-16-27)26-21(25-19)18-9-4-5-10-23-18/h1-3,5-8,10,12-15H,4,9,11H2,(H,28,29,30);1-5,7-10,12,14-16H,6,11,13H2,(H,24,25,26).
What are the key properties of N-(3-imidazol-1-ylpropyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine;N-(3-imidazol-1-ylpropyl)-2-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
N-(3-imidazol-1-ylpropyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine;N-(3-imidazol-1-ylpropyl)-2-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 780.86 g/mol, XLogP of 8.83, 14 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine;N-(3-imidazol-1-ylpropyl)-2-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 68719530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).