N-tert-butyl-6-(3-pyridin-3-ylphenyl)-2-(trifluoromethyl)quinazolin-4-amine

C24H21F3N4 — CID 5330928

IUPACN-tert-butyl-6-(3-pyridin-3-ylphenyl)-2-(trifluoromethyl)quinazolin-4-amine
SMILESCC(C)(C)Nc1nc(C(F)(F)F)nc2ccc(-c3cccc(-c4cccnc4)c3)cc12
InChIInChI=1S/C24H21F3N4/c1-23(2,3)31-21-19-13-17(9-10-20(19)29-22(30-21)24(25,26)27)15-6-4-7-16(12-15)18-8-5-11-28-14-18/h4-14H,1-3H3,(H,29,30,31)
InChIKeyHIAOBDKARZRIQC-UHFFFAOYSA-N
MW422.45 g/mol
LogP6.59
Rot. Bonds3

About N-tert-butyl-6-(3-pyridin-3-ylphenyl)-2-(trifluoromethyl)quinazolin-4-amine

N-tert-butyl-6-(3-pyridin-3-ylphenyl)-2-(trifluoromethyl)quinazolin-4-amine (PubChem CID 5330928) has the molecular formula C24H21F3N4 and a molecular weight of 422.45 g/mol. Its IUPAC name is N-tert-butyl-6-(3-pyridin-3-ylphenyl)-2-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-6-(3-pyridin-3-ylphenyl)-2-(trifluoromethyl)quinazolin-4-amine
PubChem CID5330928
Molecular FormulaC24H21F3N4
Molecular Weight422.45 g/mol
Exact Mass422.17
IUPAC NameN-tert-butyl-6-(3-pyridin-3-ylphenyl)-2-(trifluoromethyl)quinazolin-4-amine
SMILESCC(C)(C)Nc1nc(C(F)(F)F)nc2ccc(-c3cccc(-c4cccnc4)c3)cc12
InChIInChI=1S/C24H21F3N4/c1-23(2,3)31-21-19-13-17(9-10-20(19)29-22(30-21)24(25,26)27)15-6-4-7-16(12-15)18-8-5-11-28-14-18/h4-14H,1-3H3,(H,29,30,31)
InChIKeyHIAOBDKARZRIQC-UHFFFAOYSA-N
XLogP6.59
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.45
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-6-(2-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 5330923
N-[4-(tert-butylamino)-2-(trifluoromethyl)quinazolin-6-yl]formamide
CID 5330916
6-fluoro-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 110431666
6-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71274599
N-tert-butyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 21003434
benzene;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 158338475
3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 126704951
3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol
CID 67297993
N-methyl-6-(4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180199
N-methyl-2-pyridin-3-yl-6-[3-(5,5,5-trifluoropentoxy)phenyl]quinazolin-4-amine
CID 146736740
N-methyl-3,7-dipyridin-3-ylisoquinolin-1-amine
CID 71179866
6-(3-fluoro-4-iodophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 122494265

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(3-pyridin-3-ylphenyl)-2-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of N-tert-butyl-6-(3-pyridin-3-ylphenyl)-2-(trifluoromethyl)quinazolin-4-amine (CID 5330928) is N-tert-butyl-6-(3-pyridin-3-ylphenyl)-2-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for N-tert-butyl-6-(3-pyridin-3-ylphenyl)-2-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for N-tert-butyl-6-(3-pyridin-3-ylphenyl)-2-(trifluoromethyl)quinazolin-4-amine is CC(C)(C)Nc1nc(C(F)(F)F)nc2ccc(-c3cccc(-c4cccnc4)c3)cc12.
What is the InChIKey of N-tert-butyl-6-(3-pyridin-3-ylphenyl)-2-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is HIAOBDKARZRIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4/c1-23(2,3)31-21-19-13-17(9-10-20(19)29-22(30-21)24(25,26)27)15-6-4-7-16(12-15)18-8-5-11-28-14-18/h4-14H,1-3H3,(H,29,30,31).
What are the key properties of N-tert-butyl-6-(3-pyridin-3-ylphenyl)-2-(trifluoromethyl)quinazolin-4-amine?
N-tert-butyl-6-(3-pyridin-3-ylphenyl)-2-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 422.45 g/mol, XLogP of 6.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(3-pyridin-3-ylphenyl)-2-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 5330928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).