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

C21H16F3N5 — CID 11474916

IUPAC6-(8-ethylquinolin-7-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESCCc1c(-c2cc(Nc3ccc(C(F)(F)F)cn3)ncn2)ccc2cccnc12
InChIInChI=1S/C21H16F3N5/c1-2-15-16(7-5-13-4-3-9-25-20(13)15)17-10-19(28-12-27-17)29-18-8-6-14(11-26-18)21(22,23)24/h3-12H,2H2,1H3,(H,26,27,28,29)
InChIKeyNBBJVOHSNFSNCK-UHFFFAOYSA-N
MW395.39 g/mol
LogP5.41
Rot. Bonds4

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

6-(8-ethylquinolin-7-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine (PubChem CID 11474916) has the molecular formula C21H16F3N5 and a molecular weight of 395.39 g/mol. Its IUPAC name is 6-(8-ethylquinolin-7-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(8-ethylquinolin-7-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
PubChem CID11474916
Molecular FormulaC21H16F3N5
Molecular Weight395.39 g/mol
Exact Mass395.14
IUPAC Name6-(8-ethylquinolin-7-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESCCc1c(-c2cc(Nc3ccc(C(F)(F)F)cn3)ncn2)ccc2cccnc12
InChIInChI=1S/C21H16F3N5/c1-2-15-16(7-5-13-4-3-9-25-20(13)15)17-10-19(28-12-27-17)29-18-8-6-14(11-26-18)21(22,23)24/h3-12H,2H2,1H3,(H,26,27,28,29)
InChIKeyNBBJVOHSNFSNCK-UHFFFAOYSA-N
XLogP5.41
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.39
LogP ≤ 55.41
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)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 6-(8-ethylquinolin-7-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine (CID 11474916) is 6-(8-ethylquinolin-7-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(8-ethylquinolin-7-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 6-(8-ethylquinolin-7-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine is CCc1c(-c2cc(Nc3ccc(C(F)(F)F)cn3)ncn2)ccc2cccnc12.
What is the InChIKey of 6-(8-ethylquinolin-7-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The InChIKey is NBBJVOHSNFSNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5/c1-2-15-16(7-5-13-4-3-9-25-20(13)15)17-10-19(28-12-27-17)29-18-8-6-14(11-26-18)21(22,23)24/h3-12H,2H2,1H3,(H,26,27,28,29).
What are the key properties of 6-(8-ethylquinolin-7-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
6-(8-ethylquinolin-7-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine has a molecular weight of 395.39 g/mol, XLogP of 5.41, 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)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 11474916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).