6,8-dibromo-N-ethylquinazolin-4-amine

C10H9Br2N3 — CID 64980971

IUPAC6,8-dibromo-N-ethylquinazolin-4-amine
SMILESCCNc1ncnc2c(Br)cc(Br)cc12
InChIInChI=1S/C10H9Br2N3/c1-2-13-10-7-3-6(11)4-8(12)9(7)14-5-15-10/h3-5H,2H2,1H3,(H,13,14,15)
InChIKeyBNLGKKHYSFTMJW-UHFFFAOYSA-N
MW331.01 g/mol
LogP3.59
Rot. Bonds2

About 6,8-dibromo-N-ethylquinazolin-4-amine

6,8-dibromo-N-ethylquinazolin-4-amine (PubChem CID 64980971) has the molecular formula C10H9Br2N3 and a molecular weight of 331.01 g/mol. Its IUPAC name is 6,8-dibromo-N-ethylquinazolin-4-amine.

Molecular Properties

Compound Name6,8-dibromo-N-ethylquinazolin-4-amine
PubChem CID64980971
Molecular FormulaC10H9Br2N3
Molecular Weight331.01 g/mol
Exact Mass328.92
IUPAC Name6,8-dibromo-N-ethylquinazolin-4-amine
SMILESCCNc1ncnc2c(Br)cc(Br)cc12
InChIInChI=1S/C10H9Br2N3/c1-2-13-10-7-3-6(11)4-8(12)9(7)14-5-15-10/h3-5H,2H2,1H3,(H,13,14,15)
InChIKeyBNLGKKHYSFTMJW-UHFFFAOYSA-N
XLogP3.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.01
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-N-ethylquinazolin-4-amine?
The IUPAC name of 6,8-dibromo-N-ethylquinazolin-4-amine (CID 64980971) is 6,8-dibromo-N-ethylquinazolin-4-amine.
What is the SMILES notation for 6,8-dibromo-N-ethylquinazolin-4-amine?
The canonical SMILES for 6,8-dibromo-N-ethylquinazolin-4-amine is CCNc1ncnc2c(Br)cc(Br)cc12.
What is the InChIKey of 6,8-dibromo-N-ethylquinazolin-4-amine?
The InChIKey is BNLGKKHYSFTMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2N3/c1-2-13-10-7-3-6(11)4-8(12)9(7)14-5-15-10/h3-5H,2H2,1H3,(H,13,14,15).
What are the key properties of 6,8-dibromo-N-ethylquinazolin-4-amine?
6,8-dibromo-N-ethylquinazolin-4-amine has a molecular weight of 331.01 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-N-ethylquinazolin-4-amine is sourced from PubChem (CID 64980971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).