6-bromo-N,N-diethylquinazolin-4-amine

C12H14BrN3 — CID 728962

IUPAC6-bromo-N,N-diethylquinazolin-4-amine
SMILESCCN(CC)c1ncnc2ccc(Br)cc12
InChIInChI=1S/C12H14BrN3/c1-3-16(4-2)12-10-7-9(13)5-6-11(10)14-8-15-12/h5-8H,3-4H2,1-2H3
InChIKeyILHXEMLHKPZGJK-UHFFFAOYSA-N
MW280.17 g/mol
LogP3.24
Rot. Bonds3

About 6-bromo-N,N-diethylquinazolin-4-amine

6-bromo-N,N-diethylquinazolin-4-amine (PubChem CID 728962) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 6-bromo-N,N-diethylquinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N,N-diethylquinazolin-4-amine
PubChem CID728962
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name6-bromo-N,N-diethylquinazolin-4-amine
SMILESCCN(CC)c1ncnc2ccc(Br)cc12
InChIInChI=1S/C12H14BrN3/c1-3-16(4-2)12-10-7-9(13)5-6-11(10)14-8-15-12/h5-8H,3-4H2,1-2H3
InChIKeyILHXEMLHKPZGJK-UHFFFAOYSA-N
XLogP3.24
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N,N-diethylquinazolin-4-amine?
The IUPAC name of 6-bromo-N,N-diethylquinazolin-4-amine (CID 728962) is 6-bromo-N,N-diethylquinazolin-4-amine.
What is the SMILES notation for 6-bromo-N,N-diethylquinazolin-4-amine?
The canonical SMILES for 6-bromo-N,N-diethylquinazolin-4-amine is CCN(CC)c1ncnc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-N,N-diethylquinazolin-4-amine?
The InChIKey is ILHXEMLHKPZGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-3-16(4-2)12-10-7-9(13)5-6-11(10)14-8-15-12/h5-8H,3-4H2,1-2H3.
What are the key properties of 6-bromo-N,N-diethylquinazolin-4-amine?
6-bromo-N,N-diethylquinazolin-4-amine has a molecular weight of 280.17 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N,N-diethylquinazolin-4-amine is sourced from PubChem (CID 728962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).