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

C14H13F6N3 — CID 5330917

IUPACN-tert-butyl-2,6-bis(trifluoromethyl)quinazolin-4-amine
SMILESCC(C)(C)Nc1nc(C(F)(F)F)nc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C14H13F6N3/c1-12(2,3)23-10-8-6-7(13(15,16)17)4-5-9(8)21-11(22-10)14(18,19)20/h4-6H,1-3H3,(H,21,22,23)
InChIKeyAETVKDYDELIZIP-UHFFFAOYSA-N
MW337.27 g/mol
LogP4.88
Rot. Bonds1

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

N-tert-butyl-2,6-bis(trifluoromethyl)quinazolin-4-amine (PubChem CID 5330917) has the molecular formula C14H13F6N3 and a molecular weight of 337.27 g/mol. Its IUPAC name is N-tert-butyl-2,6-bis(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-2,6-bis(trifluoromethyl)quinazolin-4-amine
PubChem CID5330917
Molecular FormulaC14H13F6N3
Molecular Weight337.27 g/mol
Exact Mass337.10
IUPAC NameN-tert-butyl-2,6-bis(trifluoromethyl)quinazolin-4-amine
SMILESCC(C)(C)Nc1nc(C(F)(F)F)nc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C14H13F6N3/c1-12(2,3)23-10-8-6-7(13(15,16)17)4-5-9(8)21-11(22-10)14(18,19)20/h4-6H,1-3H3,(H,21,22,23)
InChIKeyAETVKDYDELIZIP-UHFFFAOYSA-N
XLogP4.88
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,6-bis(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of N-tert-butyl-2,6-bis(trifluoromethyl)quinazolin-4-amine (CID 5330917) is N-tert-butyl-2,6-bis(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for N-tert-butyl-2,6-bis(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for N-tert-butyl-2,6-bis(trifluoromethyl)quinazolin-4-amine is CC(C)(C)Nc1nc(C(F)(F)F)nc2ccc(C(F)(F)F)cc12.
What is the InChIKey of N-tert-butyl-2,6-bis(trifluoromethyl)quinazolin-4-amine?
The InChIKey is AETVKDYDELIZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F6N3/c1-12(2,3)23-10-8-6-7(13(15,16)17)4-5-9(8)21-11(22-10)14(18,19)20/h4-6H,1-3H3,(H,21,22,23).
What are the key properties of N-tert-butyl-2,6-bis(trifluoromethyl)quinazolin-4-amine?
N-tert-butyl-2,6-bis(trifluoromethyl)quinazolin-4-amine has a molecular weight of 337.27 g/mol, XLogP of 4.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,6-bis(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 5330917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).