N'-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine

C22H18F3N7 — CID 69181728

IUPACN'-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
SMILESFC(F)(F)c1ccc(NCCNc2cc(-c3cccnc3)nc(-c3ccccn3)n2)nc1
InChIInChI=1S/C22H18F3N7/c23-22(24,25)16-6-7-19(30-14-16)28-10-11-29-20-12-18(15-4-3-8-26-13-15)31-21(32-20)17-5-1-2-9-27-17/h1-9,12-14H,10-11H2,(H,28,30)(H,29,31,32)
InChIKeyOQKKDVKRSKGCOU-UHFFFAOYSA-N
MW437.43 g/mol
LogP4.54
Rot. Bonds7

About N'-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine

N'-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine (PubChem CID 69181728) has the molecular formula C22H18F3N7 and a molecular weight of 437.43 g/mol. Its IUPAC name is N'-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
PubChem CID69181728
Molecular FormulaC22H18F3N7
Molecular Weight437.43 g/mol
Exact Mass437.16
IUPAC NameN'-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
SMILESFC(F)(F)c1ccc(NCCNc2cc(-c3cccnc3)nc(-c3ccccn3)n2)nc1
InChIInChI=1S/C22H18F3N7/c23-22(24,25)16-6-7-19(30-14-16)28-10-11-29-20-12-18(15-4-3-8-26-13-15)31-21(32-20)17-5-1-2-9-27-17/h1-9,12-14H,10-11H2,(H,28,30)(H,29,31,32)
InChIKeyOQKKDVKRSKGCOU-UHFFFAOYSA-N
XLogP4.54
TPSA88.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.43
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 N'-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The IUPAC name of N'-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine (CID 69181728) is N'-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The canonical SMILES for N'-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine is FC(F)(F)c1ccc(NCCNc2cc(-c3cccnc3)nc(-c3ccccn3)n2)nc1.
What is the InChIKey of N'-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The InChIKey is OQKKDVKRSKGCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N7/c23-22(24,25)16-6-7-19(30-14-16)28-10-11-29-20-12-18(15-4-3-8-26-13-15)31-21(32-20)17-5-1-2-9-27-17/h1-9,12-14H,10-11H2,(H,28,30)(H,29,31,32).
What are the key properties of N'-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
N'-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine has a molecular weight of 437.43 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 69181728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).