6-bromo-N-(2-methyl-2-methylsulfanylpropyl)quinazolin-4-amine

C13H16BrN3S — CID 133327454

IUPAC6-bromo-N-(2-methyl-2-methylsulfanylpropyl)quinazolin-4-amine
SMILESCSC(C)(C)CNc1ncnc2ccc(Br)cc12
InChIInChI=1S/C13H16BrN3S/c1-13(2,18-3)7-15-12-10-6-9(14)4-5-11(10)16-8-17-12/h4-6,8H,7H2,1-3H3,(H,15,16,17)
InChIKeyFYJPQCIZMGKXOB-UHFFFAOYSA-N
MW326.26 g/mol
LogP3.95
Rot. Bonds4

About 6-bromo-N-(2-methyl-2-methylsulfanylpropyl)quinazolin-4-amine

6-bromo-N-(2-methyl-2-methylsulfanylpropyl)quinazolin-4-amine (PubChem CID 133327454) has the molecular formula C13H16BrN3S and a molecular weight of 326.26 g/mol. Its IUPAC name is 6-bromo-N-(2-methyl-2-methylsulfanylpropyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(2-methyl-2-methylsulfanylpropyl)quinazolin-4-amine
PubChem CID133327454
Molecular FormulaC13H16BrN3S
Molecular Weight326.26 g/mol
Exact Mass325.02
IUPAC Name6-bromo-N-(2-methyl-2-methylsulfanylpropyl)quinazolin-4-amine
SMILESCSC(C)(C)CNc1ncnc2ccc(Br)cc12
InChIInChI=1S/C13H16BrN3S/c1-13(2,18-3)7-15-12-10-6-9(14)4-5-11(10)16-8-17-12/h4-6,8H,7H2,1-3H3,(H,15,16,17)
InChIKeyFYJPQCIZMGKXOB-UHFFFAOYSA-N
XLogP3.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-bromo-N-(2-methyl-2-methylsulfanylpropyl)quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-methyl-2-methylsulfanylpropyl)quinazolin-4-amine?
The IUPAC name of 6-bromo-N-(2-methyl-2-methylsulfanylpropyl)quinazolin-4-amine (CID 133327454) is 6-bromo-N-(2-methyl-2-methylsulfanylpropyl)quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-(2-methyl-2-methylsulfanylpropyl)quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-(2-methyl-2-methylsulfanylpropyl)quinazolin-4-amine is CSC(C)(C)CNc1ncnc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-N-(2-methyl-2-methylsulfanylpropyl)quinazolin-4-amine?
The InChIKey is FYJPQCIZMGKXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3S/c1-13(2,18-3)7-15-12-10-6-9(14)4-5-11(10)16-8-17-12/h4-6,8H,7H2,1-3H3,(H,15,16,17).
What are the key properties of 6-bromo-N-(2-methyl-2-methylsulfanylpropyl)quinazolin-4-amine?
6-bromo-N-(2-methyl-2-methylsulfanylpropyl)quinazolin-4-amine has a molecular weight of 326.26 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-methyl-2-methylsulfanylpropyl)quinazolin-4-amine is sourced from PubChem (CID 133327454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).