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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzenesulfonic acid;6-(8-ethylquinolin-7-yl)-5-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
CID 11570451
benzenesulfonic acid;5-methyl-6-(1,8-naphthyridin-2-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
CID 11620841
6-quinolin-7-yl-4-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine-4,5-diamine
CID 11280496
6-(6-fluoroquinolin-7-yl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 11353447
benzenesulfonic acid;6-(3-fluoroquinolin-7-yl)-5-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
CID 11497729
5-methyl-6-quinolin-7-yl-2-(2,2,2-trifluoroethoxy)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;7-[5-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]-1H-quinolin-4-one
CID 87929952
5-methyl-6-quinolin-7-yl-N-[6-(trifluoromethyl)pyridazin-3-yl]pyrimidin-4-amine
CID 11699501
7-methyl-5-[[3-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-2-pyridinyl]oxy]-N-[5-(trifluoromethyl)-2-pyridinyl]isoquinolin-1-amine
CID 25134027
8-[2-methyl-4-(trifluoromethyl)phenyl]quinoline
CID 126516375
3-chloro-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazin-2-amine
CID 169204837
4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19144821
N-(2-quinolin-7-yl-4-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine
CID 11748887

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).