8-bromoquinazolin-4-amine

C8H6BrN3 — CID 66570684

IUPAC8-bromoquinazolin-4-amine
SMILESNc1ncnc2c(Br)cccc12
InChIInChI=1S/C8H6BrN3/c9-6-3-1-2-5-7(6)11-4-12-8(5)10/h1-4H,(H2,10,11,12)
InChIKeyFOIJNKOSXGBMCY-UHFFFAOYSA-N
MW224.06 g/mol
LogP1.97
Rot. Bonds

About 8-bromoquinazolin-4-amine

8-bromoquinazolin-4-amine (PubChem CID 66570684) has the molecular formula C8H6BrN3 and a molecular weight of 224.06 g/mol. Its IUPAC name is 8-bromoquinazolin-4-amine.

Molecular Properties

Compound Name8-bromoquinazolin-4-amine
PubChem CID66570684
Molecular FormulaC8H6BrN3
Molecular Weight224.06 g/mol
Exact Mass222.97
IUPAC Name8-bromoquinazolin-4-amine
SMILESNc1ncnc2c(Br)cccc12
InChIInChI=1S/C8H6BrN3/c9-6-3-1-2-5-7(6)11-4-12-8(5)10/h1-4H,(H2,10,11,12)
InChIKeyFOIJNKOSXGBMCY-UHFFFAOYSA-N
XLogP1.97
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.06
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromoquinazolin-4-amine?
The IUPAC name of 8-bromoquinazolin-4-amine (CID 66570684) is 8-bromoquinazolin-4-amine.
What is the SMILES notation for 8-bromoquinazolin-4-amine?
The canonical SMILES for 8-bromoquinazolin-4-amine is Nc1ncnc2c(Br)cccc12.
What is the InChIKey of 8-bromoquinazolin-4-amine?
The InChIKey is FOIJNKOSXGBMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3/c9-6-3-1-2-5-7(6)11-4-12-8(5)10/h1-4H,(H2,10,11,12).
What are the key properties of 8-bromoquinazolin-4-amine?
8-bromoquinazolin-4-amine has a molecular weight of 224.06 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromoquinazolin-4-amine is sourced from PubChem (CID 66570684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).