6-bromo-N-propyl-2-(trifluoromethyl)quinazolin-4-amine

C12H11BrF3N3 — CID 64981430

IUPAC6-bromo-N-propyl-2-(trifluoromethyl)quinazolin-4-amine
SMILESCCCNc1nc(C(F)(F)F)nc2ccc(Br)cc12
InChIInChI=1S/C12H11BrF3N3/c1-2-5-17-10-8-6-7(13)3-4-9(8)18-11(19-10)12(14,15)16/h3-4,6H,2,5H2,1H3,(H,17,18,19)
InChIKeyQZUZBGWSMHQOGD-UHFFFAOYSA-N
MW334.14 g/mol
LogP4.23
Rot. Bonds3

About 6-bromo-N-propyl-2-(trifluoromethyl)quinazolin-4-amine

6-bromo-N-propyl-2-(trifluoromethyl)quinazolin-4-amine (PubChem CID 64981430) has the molecular formula C12H11BrF3N3 and a molecular weight of 334.14 g/mol. Its IUPAC name is 6-bromo-N-propyl-2-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-propyl-2-(trifluoromethyl)quinazolin-4-amine
PubChem CID64981430
Molecular FormulaC12H11BrF3N3
Molecular Weight334.14 g/mol
Exact Mass333.01
IUPAC Name6-bromo-N-propyl-2-(trifluoromethyl)quinazolin-4-amine
SMILESCCCNc1nc(C(F)(F)F)nc2ccc(Br)cc12
InChIInChI=1S/C12H11BrF3N3/c1-2-5-17-10-8-6-7(13)3-4-9(8)18-11(19-10)12(14,15)16/h3-4,6H,2,5H2,1H3,(H,17,18,19)
InChIKeyQZUZBGWSMHQOGD-UHFFFAOYSA-N
XLogP4.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.14
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-propyl-2-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of 6-bromo-N-propyl-2-(trifluoromethyl)quinazolin-4-amine (CID 64981430) is 6-bromo-N-propyl-2-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-propyl-2-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-propyl-2-(trifluoromethyl)quinazolin-4-amine is CCCNc1nc(C(F)(F)F)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-N-propyl-2-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is QZUZBGWSMHQOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrF3N3/c1-2-5-17-10-8-6-7(13)3-4-9(8)18-11(19-10)12(14,15)16/h3-4,6H,2,5H2,1H3,(H,17,18,19).
What are the key properties of 6-bromo-N-propyl-2-(trifluoromethyl)quinazolin-4-amine?
6-bromo-N-propyl-2-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 334.14 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-propyl-2-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 64981430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).