6-(8-ethylquinolin-7-yl)-5-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine

C22H18F3N5 — CID 11384289

IUPAC6-(8-ethylquinolin-7-yl)-5-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESCCc1c(-c2ncnc(Nc3ccc(C(F)(F)F)cn3)c2C)ccc2cccnc12
InChIInChI=1S/C22H18F3N5/c1-3-16-17(8-6-14-5-4-10-26-20(14)16)19-13(2)21(29-12-28-19)30-18-9-7-15(11-27-18)22(23,24)25/h4-12H,3H2,1-2H3,(H,27,28,29,30)
InChIKeyZDWBAHVBGQMRFY-UHFFFAOYSA-N
MW409.42 g/mol
LogP5.72
Rot. Bonds4

About 6-(8-ethylquinolin-7-yl)-5-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine

6-(8-ethylquinolin-7-yl)-5-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine (PubChem CID 11384289) has the molecular formula C22H18F3N5 and a molecular weight of 409.42 g/mol. Its IUPAC name is 6-(8-ethylquinolin-7-yl)-5-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(8-ethylquinolin-7-yl)-5-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
PubChem CID11384289
Molecular FormulaC22H18F3N5
Molecular Weight409.42 g/mol
Exact Mass409.15
IUPAC Name6-(8-ethylquinolin-7-yl)-5-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESCCc1c(-c2ncnc(Nc3ccc(C(F)(F)F)cn3)c2C)ccc2cccnc12
InChIInChI=1S/C22H18F3N5/c1-3-16-17(8-6-14-5-4-10-26-20(14)16)19-13(2)21(29-12-28-19)30-18-9-7-15(11-27-18)22(23,24)25/h4-12H,3H2,1-2H3,(H,27,28,29,30)
InChIKeyZDWBAHVBGQMRFY-UHFFFAOYSA-N
XLogP5.72
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.42
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(8-ethylquinolin-7-yl)-5-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 6-(8-ethylquinolin-7-yl)-5-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine (CID 11384289) is 6-(8-ethylquinolin-7-yl)-5-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(8-ethylquinolin-7-yl)-5-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 6-(8-ethylquinolin-7-yl)-5-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine is CCc1c(-c2ncnc(Nc3ccc(C(F)(F)F)cn3)c2C)ccc2cccnc12.
What is the InChIKey of 6-(8-ethylquinolin-7-yl)-5-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The InChIKey is ZDWBAHVBGQMRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5/c1-3-16-17(8-6-14-5-4-10-26-20(14)16)19-13(2)21(29-12-28-19)30-18-9-7-15(11-27-18)22(23,24)25/h4-12H,3H2,1-2H3,(H,27,28,29,30).
What are the key properties of 6-(8-ethylquinolin-7-yl)-5-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
6-(8-ethylquinolin-7-yl)-5-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine has a molecular weight of 409.42 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-ethylquinolin-7-yl)-5-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 11384289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).