6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine

C20H18F3N5 — CID 22545603

IUPAC6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
SMILESNc1c(Nc2ccccc2C(F)(F)F)ncnc1N1CCCc2ccccc21
InChIInChI=1S/C20H18F3N5/c21-20(22,23)14-8-2-3-9-15(14)27-18-17(24)19(26-12-25-18)28-11-5-7-13-6-1-4-10-16(13)28/h1-4,6,8-10,12H,5,7,11,24H2,(H,25,26,27)
InChIKeyRIKXHAIXVJSYCG-UHFFFAOYSA-N
MW385.39 g/mol
LogP4.91
Rot. Bonds3

About 6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine

6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine (PubChem CID 22545603) has the molecular formula C20H18F3N5 and a molecular weight of 385.39 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
PubChem CID22545603
Molecular FormulaC20H18F3N5
Molecular Weight385.39 g/mol
Exact Mass385.15
IUPAC Name6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
SMILESNc1c(Nc2ccccc2C(F)(F)F)ncnc1N1CCCc2ccccc21
InChIInChI=1S/C20H18F3N5/c21-20(22,23)14-8-2-3-9-15(14)27-18-17(24)19(26-12-25-18)28-11-5-7-13-6-1-4-10-16(13)28/h1-4,6,8-10,12H,5,7,11,24H2,(H,25,26,27)
InChIKeyRIKXHAIXVJSYCG-UHFFFAOYSA-N
XLogP4.91
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine 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

6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,5-diamine
CID 19147319
6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine
CID 19147420
4-N-butan-2-yl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine
CID 19147403
4-N-(5-chloro-2-pyridinyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine
CID 19147069
6-(2,3-dihydroindol-1-yl)-4-N-(2-methoxyphenyl)pyrimidine-4,5-diamine
CID 22543245
6-(2,3-dihydroindol-1-yl)-4-N-phenylpyrimidine-4,5-diamine
CID 22543241
4-N-(4-bromo-2-fluorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4,5-diamine
CID 22543302
6-N-phenyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22545606
6-(3,4-dihydro-2H-quinolin-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine
CID 19136949
6-chloro-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 23477466
N'-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-2-phenylacetohydrazide
CID 19147361
4-(2,3-dihydroindol-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine
CID 22543232

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine?
The IUPAC name of 6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine (CID 22545603) is 6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine?
The canonical SMILES for 6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine is Nc1c(Nc2ccccc2C(F)(F)F)ncnc1N1CCCc2ccccc21.
What is the InChIKey of 6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine?
The InChIKey is RIKXHAIXVJSYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5/c21-20(22,23)14-8-2-3-9-15(14)27-18-17(24)19(26-12-25-18)28-11-5-7-13-6-1-4-10-16(13)28/h1-4,6,8-10,12H,5,7,11,24H2,(H,25,26,27).
What are the key properties of 6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine?
6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine has a molecular weight of 385.39 g/mol, XLogP of 4.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 22545603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).