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

C22H13F6N5 — CID 25096944

IUPAC5-[3-[4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]phenyl]pyridin-2-amine
SMILESNc1ccc(-c2cccc(-c3nc(-c4ccc(C(F)(F)F)nc4)cc(C(F)(F)F)n3)c2)cn1
InChIInChI=1S/C22H13F6N5/c23-21(24,25)17-6-4-15(11-30-17)16-9-18(22(26,27)28)33-20(32-16)13-3-1-2-12(8-13)14-5-7-19(29)31-10-14/h1-11H,(H2,29,31)
InChIKeyRUFVODIMOVLNAI-UHFFFAOYSA-N
MW461.37 g/mol
LogP5.89
Rot. Bonds3

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

5-[3-[4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]phenyl]pyridin-2-amine (PubChem CID 25096944) has the molecular formula C22H13F6N5 and a molecular weight of 461.37 g/mol. Its IUPAC name is 5-[3-[4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]phenyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-[4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]phenyl]pyridin-2-amine
PubChem CID25096944
Molecular FormulaC22H13F6N5
Molecular Weight461.37 g/mol
Exact Mass461.11
IUPAC Name5-[3-[4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]phenyl]pyridin-2-amine
SMILESNc1ccc(-c2cccc(-c3nc(-c4ccc(C(F)(F)F)nc4)cc(C(F)(F)F)n3)c2)cn1
InChIInChI=1S/C22H13F6N5/c23-21(24,25)17-6-4-15(11-30-17)16-9-18(22(26,27)28)33-20(32-16)13-3-1-2-12(8-13)14-5-7-19(29)31-10-14/h1-11H,(H2,29,31)
InChIKeyRUFVODIMOVLNAI-UHFFFAOYSA-N
XLogP5.89
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.37
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]phenyl]pyridin-2-amine?
The IUPAC name of 5-[3-[4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]phenyl]pyridin-2-amine (CID 25096944) is 5-[3-[4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]phenyl]pyridin-2-amine.
What is the SMILES notation for 5-[3-[4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]phenyl]pyridin-2-amine?
The canonical SMILES for 5-[3-[4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]phenyl]pyridin-2-amine is Nc1ccc(-c2cccc(-c3nc(-c4ccc(C(F)(F)F)nc4)cc(C(F)(F)F)n3)c2)cn1.
What is the InChIKey of 5-[3-[4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]phenyl]pyridin-2-amine?
The InChIKey is RUFVODIMOVLNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F6N5/c23-21(24,25)17-6-4-15(11-30-17)16-9-18(22(26,27)28)33-20(32-16)13-3-1-2-12(8-13)14-5-7-19(29)31-10-14/h1-11H,(H2,29,31).
What are the key properties of 5-[3-[4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]phenyl]pyridin-2-amine?
5-[3-[4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]phenyl]pyridin-2-amine has a molecular weight of 461.37 g/mol, XLogP of 5.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]phenyl]pyridin-2-amine is sourced from PubChem (CID 25096944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).