4-butan-2-ylsulfanylquinazolin-6-amine

C12H15N3S — CID 64589334

IUPAC4-butan-2-ylsulfanylquinazolin-6-amine
SMILESCCC(C)Sc1ncnc2ccc(N)cc12
InChIInChI=1S/C12H15N3S/c1-3-8(2)16-12-10-6-9(13)4-5-11(10)14-7-15-12/h4-8H,3,13H2,1-2H3
InChIKeyRHARJUQWTOHIDB-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.10
Rot. Bonds3

About 4-butan-2-ylsulfanylquinazolin-6-amine

4-butan-2-ylsulfanylquinazolin-6-amine (PubChem CID 64589334) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 4-butan-2-ylsulfanylquinazolin-6-amine.

Molecular Properties

Compound Name4-butan-2-ylsulfanylquinazolin-6-amine
PubChem CID64589334
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name4-butan-2-ylsulfanylquinazolin-6-amine
SMILESCCC(C)Sc1ncnc2ccc(N)cc12
InChIInChI=1S/C12H15N3S/c1-3-8(2)16-12-10-6-9(13)4-5-11(10)14-7-15-12/h4-8H,3,13H2,1-2H3
InChIKeyRHARJUQWTOHIDB-UHFFFAOYSA-N
XLogP3.10
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-butan-2-ylsulfanylquinazolin-6-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 4-butan-2-ylsulfanylquinazolin-6-amine?
The IUPAC name of 4-butan-2-ylsulfanylquinazolin-6-amine (CID 64589334) is 4-butan-2-ylsulfanylquinazolin-6-amine.
What is the SMILES notation for 4-butan-2-ylsulfanylquinazolin-6-amine?
The canonical SMILES for 4-butan-2-ylsulfanylquinazolin-6-amine is CCC(C)Sc1ncnc2ccc(N)cc12.
What is the InChIKey of 4-butan-2-ylsulfanylquinazolin-6-amine?
The InChIKey is RHARJUQWTOHIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-3-8(2)16-12-10-6-9(13)4-5-11(10)14-7-15-12/h4-8H,3,13H2,1-2H3.
What are the key properties of 4-butan-2-ylsulfanylquinazolin-6-amine?
4-butan-2-ylsulfanylquinazolin-6-amine has a molecular weight of 233.34 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-ylsulfanylquinazolin-6-amine is sourced from PubChem (CID 64589334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).