N-tert-butyl-6-phenyl-2-(trifluoromethyl)quinazolin-4-amine

C19H18F3N3 — CID 5330922

IUPACN-tert-butyl-6-phenyl-2-(trifluoromethyl)quinazolin-4-amine
SMILESCC(C)(C)Nc1nc(C(F)(F)F)nc2ccc(-c3ccccc3)cc12
InChIInChI=1S/C19H18F3N3/c1-18(2,3)25-16-14-11-13(12-7-5-4-6-8-12)9-10-15(14)23-17(24-16)19(20,21)22/h4-11H,1-3H3,(H,23,24,25)
InChIKeyWKWIUSVAWQBTSV-UHFFFAOYSA-N
MW345.37 g/mol
LogP5.53
Rot. Bonds2

About N-tert-butyl-6-phenyl-2-(trifluoromethyl)quinazolin-4-amine

N-tert-butyl-6-phenyl-2-(trifluoromethyl)quinazolin-4-amine (PubChem CID 5330922) has the molecular formula C19H18F3N3 and a molecular weight of 345.37 g/mol. Its IUPAC name is N-tert-butyl-6-phenyl-2-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-6-phenyl-2-(trifluoromethyl)quinazolin-4-amine
PubChem CID5330922
Molecular FormulaC19H18F3N3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC NameN-tert-butyl-6-phenyl-2-(trifluoromethyl)quinazolin-4-amine
SMILESCC(C)(C)Nc1nc(C(F)(F)F)nc2ccc(-c3ccccc3)cc12
InChIInChI=1S/C19H18F3N3/c1-18(2,3)25-16-14-11-13(12-7-5-4-6-8-12)9-10-15(14)23-17(24-16)19(20,21)22/h4-11H,1-3H3,(H,23,24,25)
InChIKeyWKWIUSVAWQBTSV-UHFFFAOYSA-N
XLogP5.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.37
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-phenyl-2-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of N-tert-butyl-6-phenyl-2-(trifluoromethyl)quinazolin-4-amine (CID 5330922) is N-tert-butyl-6-phenyl-2-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for N-tert-butyl-6-phenyl-2-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for N-tert-butyl-6-phenyl-2-(trifluoromethyl)quinazolin-4-amine is CC(C)(C)Nc1nc(C(F)(F)F)nc2ccc(-c3ccccc3)cc12.
What is the InChIKey of N-tert-butyl-6-phenyl-2-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is WKWIUSVAWQBTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3/c1-18(2,3)25-16-14-11-13(12-7-5-4-6-8-12)9-10-15(14)23-17(24-16)19(20,21)22/h4-11H,1-3H3,(H,23,24,25).
What are the key properties of N-tert-butyl-6-phenyl-2-(trifluoromethyl)quinazolin-4-amine?
N-tert-butyl-6-phenyl-2-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 345.37 g/mol, XLogP of 5.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-phenyl-2-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 5330922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).