2-pyridin-2-yl-6-pyridin-3-yl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrimidin-4-amine

C22H17F3N6 — CID 69184520

IUPAC2-pyridin-2-yl-6-pyridin-3-yl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrimidin-4-amine
SMILESFC(F)(F)c1ccc(CCNc2cc(-c3cccnc3)nc(-c3ccccn3)n2)nc1
InChIInChI=1S/C22H17F3N6/c23-22(24,25)16-6-7-17(29-14-16)8-11-28-20-12-19(15-4-3-9-26-13-15)30-21(31-20)18-5-1-2-10-27-18/h1-7,9-10,12-14H,8,11H2,(H,28,30,31)
InChIKeyURZLLPZMLWOSJP-UHFFFAOYSA-N
MW422.41 g/mol
LogP4.67
Rot. Bonds6

About 2-pyridin-2-yl-6-pyridin-3-yl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrimidin-4-amine

2-pyridin-2-yl-6-pyridin-3-yl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrimidin-4-amine (PubChem CID 69184520) has the molecular formula C22H17F3N6 and a molecular weight of 422.41 g/mol. Its IUPAC name is 2-pyridin-2-yl-6-pyridin-3-yl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-pyridin-2-yl-6-pyridin-3-yl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrimidin-4-amine
PubChem CID69184520
Molecular FormulaC22H17F3N6
Molecular Weight422.41 g/mol
Exact Mass422.15
IUPAC Name2-pyridin-2-yl-6-pyridin-3-yl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrimidin-4-amine
SMILESFC(F)(F)c1ccc(CCNc2cc(-c3cccnc3)nc(-c3ccccn3)n2)nc1
InChIInChI=1S/C22H17F3N6/c23-22(24,25)16-6-7-17(29-14-16)8-11-28-20-12-19(15-4-3-9-26-13-15)30-21(31-20)18-5-1-2-10-27-18/h1-7,9-10,12-14H,8,11H2,(H,28,30,31)
InChIKeyURZLLPZMLWOSJP-UHFFFAOYSA-N
XLogP4.67
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-6-pyridin-3-yl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrimidin-4-amine?
The IUPAC name of 2-pyridin-2-yl-6-pyridin-3-yl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrimidin-4-amine (CID 69184520) is 2-pyridin-2-yl-6-pyridin-3-yl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-pyridin-2-yl-6-pyridin-3-yl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-pyridin-2-yl-6-pyridin-3-yl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrimidin-4-amine is FC(F)(F)c1ccc(CCNc2cc(-c3cccnc3)nc(-c3ccccn3)n2)nc1.
What is the InChIKey of 2-pyridin-2-yl-6-pyridin-3-yl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrimidin-4-amine?
The InChIKey is URZLLPZMLWOSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N6/c23-22(24,25)16-6-7-17(29-14-16)8-11-28-20-12-19(15-4-3-9-26-13-15)30-21(31-20)18-5-1-2-10-27-18/h1-7,9-10,12-14H,8,11H2,(H,28,30,31).
What are the key properties of 2-pyridin-2-yl-6-pyridin-3-yl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrimidin-4-amine?
2-pyridin-2-yl-6-pyridin-3-yl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrimidin-4-amine has a molecular weight of 422.41 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-6-pyridin-3-yl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrimidin-4-amine is sourced from PubChem (CID 69184520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).