6-bromo-7-ethylquinazolin-2-amine

C10H10BrN3 — CID 137351834

IUPAC6-bromo-7-ethylquinazolin-2-amine
SMILESCCc1cc2nc(N)ncc2cc1Br
InChIInChI=1S/C10H10BrN3/c1-2-6-4-9-7(3-8(6)11)5-13-10(12)14-9/h3-5H,2H2,1H3,(H2,12,13,14)
InChIKeyXZYGCUDSJLDAFA-UHFFFAOYSA-N
MW252.12 g/mol
LogP2.54
Rot. Bonds1

About 6-bromo-7-ethylquinazolin-2-amine

6-bromo-7-ethylquinazolin-2-amine (PubChem CID 137351834) has the molecular formula C10H10BrN3 and a molecular weight of 252.12 g/mol. Its IUPAC name is 6-bromo-7-ethylquinazolin-2-amine.

Molecular Properties

Compound Name6-bromo-7-ethylquinazolin-2-amine
PubChem CID137351834
Molecular FormulaC10H10BrN3
Molecular Weight252.12 g/mol
Exact Mass251.01
IUPAC Name6-bromo-7-ethylquinazolin-2-amine
SMILESCCc1cc2nc(N)ncc2cc1Br
InChIInChI=1S/C10H10BrN3/c1-2-6-4-9-7(3-8(6)11)5-13-10(12)14-9/h3-5H,2H2,1H3,(H2,12,13,14)
InChIKeyXZYGCUDSJLDAFA-UHFFFAOYSA-N
XLogP2.54
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.12
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-ethylquinazolin-2-amine?
The IUPAC name of 6-bromo-7-ethylquinazolin-2-amine (CID 137351834) is 6-bromo-7-ethylquinazolin-2-amine.
What is the SMILES notation for 6-bromo-7-ethylquinazolin-2-amine?
The canonical SMILES for 6-bromo-7-ethylquinazolin-2-amine is CCc1cc2nc(N)ncc2cc1Br.
What is the InChIKey of 6-bromo-7-ethylquinazolin-2-amine?
The InChIKey is XZYGCUDSJLDAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c1-2-6-4-9-7(3-8(6)11)5-13-10(12)14-9/h3-5H,2H2,1H3,(H2,12,13,14).
What are the key properties of 6-bromo-7-ethylquinazolin-2-amine?
6-bromo-7-ethylquinazolin-2-amine has a molecular weight of 252.12 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-ethylquinazolin-2-amine is sourced from PubChem (CID 137351834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).