2,6-dipyridin-2-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine

C20H13F3N6 — CID 69057845

IUPAC2,6-dipyridin-2-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESFC(F)(F)c1ccc(Nc2cc(-c3ccccn3)nc(-c3ccccn3)n2)nc1
InChIInChI=1S/C20H13F3N6/c21-20(22,23)13-7-8-17(26-12-13)28-18-11-16(14-5-1-3-9-24-14)27-19(29-18)15-6-2-4-10-25-15/h1-12H,(H,26,27,28,29)
InChIKeyJMCKNKQZGCNHID-UHFFFAOYSA-N
MW394.36 g/mol
LogP4.76
Rot. Bonds4

About 2,6-dipyridin-2-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine

2,6-dipyridin-2-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine (PubChem CID 69057845) has the molecular formula C20H13F3N6 and a molecular weight of 394.36 g/mol. Its IUPAC name is 2,6-dipyridin-2-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2,6-dipyridin-2-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
PubChem CID69057845
Molecular FormulaC20H13F3N6
Molecular Weight394.36 g/mol
Exact Mass394.12
IUPAC Name2,6-dipyridin-2-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESFC(F)(F)c1ccc(Nc2cc(-c3ccccn3)nc(-c3ccccn3)n2)nc1
InChIInChI=1S/C20H13F3N6/c21-20(22,23)13-7-8-17(26-12-13)28-18-11-16(14-5-1-3-9-24-14)27-19(29-18)15-6-2-4-10-25-15/h1-12H,(H,26,27,28,29)
InChIKeyJMCKNKQZGCNHID-UHFFFAOYSA-N
XLogP4.76
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.36
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-dipyridin-2-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 2,6-dipyridin-2-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine (CID 69057845) is 2,6-dipyridin-2-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 2,6-dipyridin-2-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 2,6-dipyridin-2-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine is FC(F)(F)c1ccc(Nc2cc(-c3ccccn3)nc(-c3ccccn3)n2)nc1.
What is the InChIKey of 2,6-dipyridin-2-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The InChIKey is JMCKNKQZGCNHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N6/c21-20(22,23)13-7-8-17(26-12-13)28-18-11-16(14-5-1-3-9-24-14)27-19(29-18)15-6-2-4-10-25-15/h1-12H,(H,26,27,28,29).
What are the key properties of 2,6-dipyridin-2-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
2,6-dipyridin-2-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine has a molecular weight of 394.36 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dipyridin-2-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 69057845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).