6,8-dibromo-N-methyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine

C11H6Br2F5N3 — CID 64980921

IUPAC6,8-dibromo-N-methyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine
SMILESCNc1nc(C(F)(F)C(F)(F)F)nc2c(Br)cc(Br)cc12
InChIInChI=1S/C11H6Br2F5N3/c1-19-8-5-2-4(12)3-6(13)7(5)20-9(21-8)10(14,15)11(16,17)18/h2-3H,1H3,(H,19,20,21)
InChIKeyZYJQSPPFEJRWRX-UHFFFAOYSA-N
MW434.99 g/mol
LogP4.85
Rot. Bonds2

About 6,8-dibromo-N-methyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine

6,8-dibromo-N-methyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine (PubChem CID 64980921) has the molecular formula C11H6Br2F5N3 and a molecular weight of 434.99 g/mol. Its IUPAC name is 6,8-dibromo-N-methyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6,8-dibromo-N-methyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine
PubChem CID64980921
Molecular FormulaC11H6Br2F5N3
Molecular Weight434.99 g/mol
Exact Mass432.88
IUPAC Name6,8-dibromo-N-methyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine
SMILESCNc1nc(C(F)(F)C(F)(F)F)nc2c(Br)cc(Br)cc12
InChIInChI=1S/C11H6Br2F5N3/c1-19-8-5-2-4(12)3-6(13)7(5)20-9(21-8)10(14,15)11(16,17)18/h2-3H,1H3,(H,19,20,21)
InChIKeyZYJQSPPFEJRWRX-UHFFFAOYSA-N
XLogP4.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.99
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-N-methyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine?
The IUPAC name of 6,8-dibromo-N-methyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine (CID 64980921) is 6,8-dibromo-N-methyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine.
What is the SMILES notation for 6,8-dibromo-N-methyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine?
The canonical SMILES for 6,8-dibromo-N-methyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine is CNc1nc(C(F)(F)C(F)(F)F)nc2c(Br)cc(Br)cc12.
What is the InChIKey of 6,8-dibromo-N-methyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine?
The InChIKey is ZYJQSPPFEJRWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2F5N3/c1-19-8-5-2-4(12)3-6(13)7(5)20-9(21-8)10(14,15)11(16,17)18/h2-3H,1H3,(H,19,20,21).
What are the key properties of 6,8-dibromo-N-methyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine?
6,8-dibromo-N-methyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine has a molecular weight of 434.99 g/mol, XLogP of 4.85, 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-methyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine is sourced from PubChem (CID 64980921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).