5-fluoro-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-methoxy-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

C41H27F7N8O — CID 87964579

IUPAC5-fluoro-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-methoxy-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCOc1nc(Nc2ccc(C(F)(F)F)cc2)cc(-c2ccc3cccnc3c2)n1.Fc1c(Nc2ccc(C(F)(F)F)cc2)ncnc1-c1ccc2cccnc2c1
InChIInChI=1S/C21H15F3N4O.C20H12F4N4/c1-29-20-27-18(14-5-4-13-3-2-10-25-17(13)11-14)12-19(28-20)26-16-8-6-15(7-9-16)21(22,23)24;21-17-18(13-4-3-12-2-1-9-25-16(12)10-13)26-11-27-19(17)28-15-7-5-14(6-8-15)20(22,23)24/h2-12H,1H3,(H,26,27,28);1-11H,(H,26,27,28)
InChIKeyLQJOTKBZORGGHA-UHFFFAOYSA-N
MW780.71 g/mol
LogP11.06
Rot. Bonds7

About 5-fluoro-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-methoxy-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

5-fluoro-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-methoxy-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 87964579) has the molecular formula C41H27F7N8O and a molecular weight of 780.71 g/mol. Its IUPAC name is 5-fluoro-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-methoxy-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-methoxy-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID87964579
Molecular FormulaC41H27F7N8O
Molecular Weight780.71 g/mol
Exact Mass780.22
IUPAC Name5-fluoro-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-methoxy-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCOc1nc(Nc2ccc(C(F)(F)F)cc2)cc(-c2ccc3cccnc3c2)n1.Fc1c(Nc2ccc(C(F)(F)F)cc2)ncnc1-c1ccc2cccnc2c1
InChIInChI=1S/C21H15F3N4O.C20H12F4N4/c1-29-20-27-18(14-5-4-13-3-2-10-25-17(13)11-14)12-19(28-20)26-16-8-6-15(7-9-16)21(22,23)24;21-17-18(13-4-3-12-2-1-9-25-16(12)10-13)26-11-27-19(17)28-15-7-5-14(6-8-15)20(22,23)24/h2-12H,1H3,(H,26,27,28);1-11H,(H,26,27,28)
InChIKeyLQJOTKBZORGGHA-UHFFFAOYSA-N
XLogP11.06
TPSA110.63 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.71
LogP ≤ 511.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-fluoro-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-methoxy-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]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

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-methoxy-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 5-fluoro-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-methoxy-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 87964579) is 5-fluoro-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-methoxy-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-methoxy-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-methoxy-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is COc1nc(Nc2ccc(C(F)(F)F)cc2)cc(-c2ccc3cccnc3c2)n1.Fc1c(Nc2ccc(C(F)(F)F)cc2)ncnc1-c1ccc2cccnc2c1.
What is the InChIKey of 5-fluoro-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-methoxy-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is LQJOTKBZORGGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O.C20H12F4N4/c1-29-20-27-18(14-5-4-13-3-2-10-25-17(13)11-14)12-19(28-20)26-16-8-6-15(7-9-16)21(22,23)24;21-17-18(13-4-3-12-2-1-9-25-16(12)10-13)26-11-27-19(17)28-15-7-5-14(6-8-15)20(22,23)24/h2-12H,1H3,(H,26,27,28);1-11H,(H,26,27,28).
What are the key properties of 5-fluoro-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-methoxy-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
5-fluoro-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-methoxy-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 780.71 g/mol, XLogP of 11.06, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-methoxy-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 87964579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).