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

C21H16F3N5 — CID 11395317

IUPAC5-methyl-6-(8-methylquinolin-7-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESCc1c(Nc2ccc(C(F)(F)F)cn2)ncnc1-c1ccc2cccnc2c1C
InChIInChI=1S/C21H16F3N5/c1-12-16(7-5-14-4-3-9-25-18(12)14)19-13(2)20(28-11-27-19)29-17-8-6-15(10-26-17)21(22,23)24/h3-11H,1-2H3,(H,26,27,28,29)
InChIKeyGWZUQCXNLNTVJY-UHFFFAOYSA-N
MW395.39 g/mol
LogP5.47
Rot. Bonds3

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

5-methyl-6-(8-methylquinolin-7-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine (PubChem CID 11395317) has the molecular formula C21H16F3N5 and a molecular weight of 395.39 g/mol. Its IUPAC name is 5-methyl-6-(8-methylquinolin-7-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-6-(8-methylquinolin-7-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
PubChem CID11395317
Molecular FormulaC21H16F3N5
Molecular Weight395.39 g/mol
Exact Mass395.14
IUPAC Name5-methyl-6-(8-methylquinolin-7-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESCc1c(Nc2ccc(C(F)(F)F)cn2)ncnc1-c1ccc2cccnc2c1C
InChIInChI=1S/C21H16F3N5/c1-12-16(7-5-14-4-3-9-25-18(12)14)19-13(2)20(28-11-27-19)29-17-8-6-15(10-26-17)21(22,23)24/h3-11H,1-2H3,(H,26,27,28,29)
InChIKeyGWZUQCXNLNTVJY-UHFFFAOYSA-N
XLogP5.47
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.39
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(8-methylquinolin-7-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 5-methyl-6-(8-methylquinolin-7-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine (CID 11395317) is 5-methyl-6-(8-methylquinolin-7-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-6-(8-methylquinolin-7-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 5-methyl-6-(8-methylquinolin-7-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine is Cc1c(Nc2ccc(C(F)(F)F)cn2)ncnc1-c1ccc2cccnc2c1C.
What is the InChIKey of 5-methyl-6-(8-methylquinolin-7-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The InChIKey is GWZUQCXNLNTVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5/c1-12-16(7-5-14-4-3-9-25-18(12)14)19-13(2)20(28-11-27-19)29-17-8-6-15(10-26-17)21(22,23)24/h3-11H,1-2H3,(H,26,27,28,29).
What are the key properties of 5-methyl-6-(8-methylquinolin-7-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
5-methyl-6-(8-methylquinolin-7-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine has a molecular weight of 395.39 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(8-methylquinolin-7-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 11395317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).