N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine

C19H14ClF3N4 — CID 112902247

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine
SMILESFC(F)(F)c1cc(Cl)ccc1Nc1nccc(N2CCc3ccccc32)n1
InChIInChI=1S/C19H14ClF3N4/c20-13-5-6-15(14(11-13)19(21,22)23)25-18-24-9-7-17(26-18)27-10-8-12-3-1-2-4-16(12)27/h1-7,9,11H,8,10H2,(H,24,25,26)
InChIKeyQFGPPSKFZZBTEM-UHFFFAOYSA-N
MW390.80 g/mol
LogP5.59
Rot. Bonds3

About N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine

N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine (PubChem CID 112902247) has the molecular formula C19H14ClF3N4 and a molecular weight of 390.80 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine
PubChem CID112902247
Molecular FormulaC19H14ClF3N4
Molecular Weight390.80 g/mol
Exact Mass390.09
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine
SMILESFC(F)(F)c1cc(Cl)ccc1Nc1nccc(N2CCc3ccccc32)n1
InChIInChI=1S/C19H14ClF3N4/c20-13-5-6-15(14(11-13)19(21,22)23)25-18-24-9-7-17(26-18)27-10-8-12-3-1-2-4-16(12)27/h1-7,9,11H,8,10H2,(H,24,25,26)
InChIKeyQFGPPSKFZZBTEM-UHFFFAOYSA-N
XLogP5.59
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.80
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(2,3-dihydroindol-1-yl)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 N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine (CID 112902247) is N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine is FC(F)(F)c1cc(Cl)ccc1Nc1nccc(N2CCc3ccccc32)n1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine?
The InChIKey is QFGPPSKFZZBTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N4/c20-13-5-6-15(14(11-13)19(21,22)23)25-18-24-9-7-17(26-18)27-10-8-12-3-1-2-4-16(12)27/h1-7,9,11H,8,10H2,(H,24,25,26).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine?
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine has a molecular weight of 390.80 g/mol, XLogP of 5.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112902247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).