6,8-dibromo-N-methyl-2-(5-methylthiophen-2-yl)quinazolin-4-amine

C14H11Br2N3S — CID 64980923

IUPAC6,8-dibromo-N-methyl-2-(5-methylthiophen-2-yl)quinazolin-4-amine
SMILESCNc1nc(-c2ccc(C)s2)nc2c(Br)cc(Br)cc12
InChIInChI=1S/C14H11Br2N3S/c1-7-3-4-11(20-7)14-18-12-9(13(17-2)19-14)5-8(15)6-10(12)16/h3-6H,1-2H3,(H,17,18,19)
InChIKeyWNYUNNWOIZUROT-UHFFFAOYSA-N
MW413.14 g/mol
LogP5.23
Rot. Bonds2

About 6,8-dibromo-N-methyl-2-(5-methylthiophen-2-yl)quinazolin-4-amine

6,8-dibromo-N-methyl-2-(5-methylthiophen-2-yl)quinazolin-4-amine (PubChem CID 64980923) has the molecular formula C14H11Br2N3S and a molecular weight of 413.14 g/mol. Its IUPAC name is 6,8-dibromo-N-methyl-2-(5-methylthiophen-2-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6,8-dibromo-N-methyl-2-(5-methylthiophen-2-yl)quinazolin-4-amine
PubChem CID64980923
Molecular FormulaC14H11Br2N3S
Molecular Weight413.14 g/mol
Exact Mass410.90
IUPAC Name6,8-dibromo-N-methyl-2-(5-methylthiophen-2-yl)quinazolin-4-amine
SMILESCNc1nc(-c2ccc(C)s2)nc2c(Br)cc(Br)cc12
InChIInChI=1S/C14H11Br2N3S/c1-7-3-4-11(20-7)14-18-12-9(13(17-2)19-14)5-8(15)6-10(12)16/h3-6H,1-2H3,(H,17,18,19)
InChIKeyWNYUNNWOIZUROT-UHFFFAOYSA-N
XLogP5.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.14
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-N-methyl-2-(5-methylthiophen-2-yl)quinazolin-4-amine?
The IUPAC name of 6,8-dibromo-N-methyl-2-(5-methylthiophen-2-yl)quinazolin-4-amine (CID 64980923) is 6,8-dibromo-N-methyl-2-(5-methylthiophen-2-yl)quinazolin-4-amine.
What is the SMILES notation for 6,8-dibromo-N-methyl-2-(5-methylthiophen-2-yl)quinazolin-4-amine?
The canonical SMILES for 6,8-dibromo-N-methyl-2-(5-methylthiophen-2-yl)quinazolin-4-amine is CNc1nc(-c2ccc(C)s2)nc2c(Br)cc(Br)cc12.
What is the InChIKey of 6,8-dibromo-N-methyl-2-(5-methylthiophen-2-yl)quinazolin-4-amine?
The InChIKey is WNYUNNWOIZUROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2N3S/c1-7-3-4-11(20-7)14-18-12-9(13(17-2)19-14)5-8(15)6-10(12)16/h3-6H,1-2H3,(H,17,18,19).
What are the key properties of 6,8-dibromo-N-methyl-2-(5-methylthiophen-2-yl)quinazolin-4-amine?
6,8-dibromo-N-methyl-2-(5-methylthiophen-2-yl)quinazolin-4-amine has a molecular weight of 413.14 g/mol, XLogP of 5.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-N-methyl-2-(5-methylthiophen-2-yl)quinazolin-4-amine is sourced from PubChem (CID 64980923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).