4-(6-bromo-1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine

C19H12BrF3N4 — CID 53362272

IUPAC4-(6-bromo-1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(C(F)(F)F)cc2)c(-c2c[nH]c3cc(Br)ccc23)n1
InChIInChI=1S/C19H12BrF3N4/c20-12-5-6-13-15(9-25-16(13)7-12)17-14(8-26-18(24)27-17)10-1-3-11(4-2-10)19(21,22)23/h1-9,25H,(H2,24,26,27)
InChIKeyGILABDHBGLUSKX-UHFFFAOYSA-N
MW433.23 g/mol
LogP5.66
Rot. Bonds2

About 4-(6-bromo-1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine

4-(6-bromo-1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine (PubChem CID 53362272) has the molecular formula C19H12BrF3N4 and a molecular weight of 433.23 g/mol. Its IUPAC name is 4-(6-bromo-1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(6-bromo-1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
PubChem CID53362272
Molecular FormulaC19H12BrF3N4
Molecular Weight433.23 g/mol
Exact Mass432.02
IUPAC Name4-(6-bromo-1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(C(F)(F)F)cc2)c(-c2c[nH]c3cc(Br)ccc23)n1
InChIInChI=1S/C19H12BrF3N4/c20-12-5-6-13-15(9-25-16(13)7-12)17-14(8-26-18(24)27-17)10-1-3-11(4-2-10)19(21,22)23/h1-9,25H,(H2,24,26,27)
InChIKeyGILABDHBGLUSKX-UHFFFAOYSA-N
XLogP5.66
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.23
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(6-bromo-1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-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 4-(6-bromo-1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-(6-bromo-1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine (CID 53362272) is 4-(6-bromo-1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(6-bromo-1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-(6-bromo-1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine is Nc1ncc(-c2ccc(C(F)(F)F)cc2)c(-c2c[nH]c3cc(Br)ccc23)n1.
What is the InChIKey of 4-(6-bromo-1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The InChIKey is GILABDHBGLUSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrF3N4/c20-12-5-6-13-15(9-25-16(13)7-12)17-14(8-26-18(24)27-17)10-1-3-11(4-2-10)19(21,22)23/h1-9,25H,(H2,24,26,27).
What are the key properties of 4-(6-bromo-1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
4-(6-bromo-1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine has a molecular weight of 433.23 g/mol, XLogP of 5.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 53362272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).