N-tert-butyl-2-(trifluoromethyl)-5,6-dihydroquinazolin-4-amine

C13H16F3N3 — CID 162585674

IUPACN-tert-butyl-2-(trifluoromethyl)-5,6-dihydroquinazolin-4-amine
SMILESCC(C)(C)Nc1nc(C(F)(F)F)nc2c1CCC=C2
InChIInChI=1S/C13H16F3N3/c1-12(2,3)19-10-8-6-4-5-7-9(8)17-11(18-10)13(14,15)16/h5,7H,4,6H2,1-3H3,(H,17,18,19)
InChIKeyCKESULPUSQUXAS-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.67
Rot. Bonds1

About N-tert-butyl-2-(trifluoromethyl)-5,6-dihydroquinazolin-4-amine

N-tert-butyl-2-(trifluoromethyl)-5,6-dihydroquinazolin-4-amine (PubChem CID 162585674) has the molecular formula C13H16F3N3 and a molecular weight of 271.29 g/mol. Its IUPAC name is N-tert-butyl-2-(trifluoromethyl)-5,6-dihydroquinazolin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(trifluoromethyl)-5,6-dihydroquinazolin-4-amine
PubChem CID162585674
Molecular FormulaC13H16F3N3
Molecular Weight271.29 g/mol
Exact Mass271.13
IUPAC NameN-tert-butyl-2-(trifluoromethyl)-5,6-dihydroquinazolin-4-amine
SMILESCC(C)(C)Nc1nc(C(F)(F)F)nc2c1CCC=C2
InChIInChI=1S/C13H16F3N3/c1-12(2,3)19-10-8-6-4-5-7-9(8)17-11(18-10)13(14,15)16/h5,7H,4,6H2,1-3H3,(H,17,18,19)
InChIKeyCKESULPUSQUXAS-UHFFFAOYSA-N
XLogP3.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(trifluoromethyl)-5,6-dihydroquinazolin-4-amine?
The IUPAC name of N-tert-butyl-2-(trifluoromethyl)-5,6-dihydroquinazolin-4-amine (CID 162585674) is N-tert-butyl-2-(trifluoromethyl)-5,6-dihydroquinazolin-4-amine.
What is the SMILES notation for N-tert-butyl-2-(trifluoromethyl)-5,6-dihydroquinazolin-4-amine?
The canonical SMILES for N-tert-butyl-2-(trifluoromethyl)-5,6-dihydroquinazolin-4-amine is CC(C)(C)Nc1nc(C(F)(F)F)nc2c1CCC=C2.
What is the InChIKey of N-tert-butyl-2-(trifluoromethyl)-5,6-dihydroquinazolin-4-amine?
The InChIKey is CKESULPUSQUXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3/c1-12(2,3)19-10-8-6-4-5-7-9(8)17-11(18-10)13(14,15)16/h5,7H,4,6H2,1-3H3,(H,17,18,19).
What are the key properties of N-tert-butyl-2-(trifluoromethyl)-5,6-dihydroquinazolin-4-amine?
N-tert-butyl-2-(trifluoromethyl)-5,6-dihydroquinazolin-4-amine has a molecular weight of 271.29 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(trifluoromethyl)-5,6-dihydroquinazolin-4-amine is sourced from PubChem (CID 162585674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).