6,8-dibromo-2-(3,5-difluorophenyl)quinazolin-4-amine

C14H7Br2F2N3 — CID 64983350

IUPAC6,8-dibromo-2-(3,5-difluorophenyl)quinazolin-4-amine
SMILESNc1nc(-c2cc(F)cc(F)c2)nc2c(Br)cc(Br)cc12
InChIInChI=1S/C14H7Br2F2N3/c15-7-3-10-12(11(16)4-7)20-14(21-13(10)19)6-1-8(17)5-9(18)2-6/h1-5H,(H2,19,20,21)
InChIKeyNAJDTFRGKIODFW-UHFFFAOYSA-N
MW415.04 g/mol
LogP4.68
Rot. Bonds1

About 6,8-dibromo-2-(3,5-difluorophenyl)quinazolin-4-amine

6,8-dibromo-2-(3,5-difluorophenyl)quinazolin-4-amine (PubChem CID 64983350) has the molecular formula C14H7Br2F2N3 and a molecular weight of 415.04 g/mol. Its IUPAC name is 6,8-dibromo-2-(3,5-difluorophenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6,8-dibromo-2-(3,5-difluorophenyl)quinazolin-4-amine
PubChem CID64983350
Molecular FormulaC14H7Br2F2N3
Molecular Weight415.04 g/mol
Exact Mass412.90
IUPAC Name6,8-dibromo-2-(3,5-difluorophenyl)quinazolin-4-amine
SMILESNc1nc(-c2cc(F)cc(F)c2)nc2c(Br)cc(Br)cc12
InChIInChI=1S/C14H7Br2F2N3/c15-7-3-10-12(11(16)4-7)20-14(21-13(10)19)6-1-8(17)5-9(18)2-6/h1-5H,(H2,19,20,21)
InChIKeyNAJDTFRGKIODFW-UHFFFAOYSA-N
XLogP4.68
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.04
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-2-(3,5-difluorophenyl)quinazolin-4-amine?
The IUPAC name of 6,8-dibromo-2-(3,5-difluorophenyl)quinazolin-4-amine (CID 64983350) is 6,8-dibromo-2-(3,5-difluorophenyl)quinazolin-4-amine.
What is the SMILES notation for 6,8-dibromo-2-(3,5-difluorophenyl)quinazolin-4-amine?
The canonical SMILES for 6,8-dibromo-2-(3,5-difluorophenyl)quinazolin-4-amine is Nc1nc(-c2cc(F)cc(F)c2)nc2c(Br)cc(Br)cc12.
What is the InChIKey of 6,8-dibromo-2-(3,5-difluorophenyl)quinazolin-4-amine?
The InChIKey is NAJDTFRGKIODFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Br2F2N3/c15-7-3-10-12(11(16)4-7)20-14(21-13(10)19)6-1-8(17)5-9(18)2-6/h1-5H,(H2,19,20,21).
What are the key properties of 6,8-dibromo-2-(3,5-difluorophenyl)quinazolin-4-amine?
6,8-dibromo-2-(3,5-difluorophenyl)quinazolin-4-amine has a molecular weight of 415.04 g/mol, XLogP of 4.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-2-(3,5-difluorophenyl)quinazolin-4-amine is sourced from PubChem (CID 64983350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).