4-propylsulfonylquinazolin-6-amine

C11H13N3O2S — CID 64586675

IUPAC4-propylsulfonylquinazolin-6-amine
SMILESCCCS(=O)(=O)c1ncnc2ccc(N)cc12
InChIInChI=1S/C11H13N3O2S/c1-2-5-17(15,16)11-9-6-8(12)3-4-10(9)13-7-14-11/h3-4,6-7H,2,5,12H2,1H3
InChIKeyJKSJXGOLVVLSDK-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.40
Rot. Bonds3

About 4-propylsulfonylquinazolin-6-amine

4-propylsulfonylquinazolin-6-amine (PubChem CID 64586675) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 4-propylsulfonylquinazolin-6-amine.

Molecular Properties

Compound Name4-propylsulfonylquinazolin-6-amine
PubChem CID64586675
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name4-propylsulfonylquinazolin-6-amine
SMILESCCCS(=O)(=O)c1ncnc2ccc(N)cc12
InChIInChI=1S/C11H13N3O2S/c1-2-5-17(15,16)11-9-6-8(12)3-4-10(9)13-7-14-11/h3-4,6-7H,2,5,12H2,1H3
InChIKeyJKSJXGOLVVLSDK-UHFFFAOYSA-N
XLogP1.40
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-propoxyquinazolin-6-amine
CID 64587338
4-N-pentyl-4-N-propan-2-ylquinazoline-4,6-diamine
CID 64587916
4-N-methyl-4-N-pentan-2-ylquinazoline-4,6-diamine
CID 64588086
4-N-(4-propylphenyl)quinazoline-4,6-diamine
CID 64589074
4-methyl-3-propylsulfonylaniline
CID 62589386
4-butan-2-ylsulfanylquinazolin-6-amine
CID 64589334
ethane;4-N-methylquinazoline-4,6-diamine
CID 91218753
2-[(6-aminoquinazolin-4-yl)-propylamino]-N,N-dimethylacetamide
CID 64589896
4-N-(4-methylpentan-2-yl)quinazoline-4,6-diamine
CID 64588281
4-(2-methylpropoxy)quinazolin-6-amine
CID 64590117
2-[(6-aminoquinazolin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 64588093
4-N-(2-methylsulfonylethyl)quinazoline-4,7-diamine
CID 65337012

Frequently Asked Questions

What is the IUPAC name of 4-propylsulfonylquinazolin-6-amine?
The IUPAC name of 4-propylsulfonylquinazolin-6-amine (CID 64586675) is 4-propylsulfonylquinazolin-6-amine.
What is the SMILES notation for 4-propylsulfonylquinazolin-6-amine?
The canonical SMILES for 4-propylsulfonylquinazolin-6-amine is CCCS(=O)(=O)c1ncnc2ccc(N)cc12.
What is the InChIKey of 4-propylsulfonylquinazolin-6-amine?
The InChIKey is JKSJXGOLVVLSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-2-5-17(15,16)11-9-6-8(12)3-4-10(9)13-7-14-11/h3-4,6-7H,2,5,12H2,1H3.
What are the key properties of 4-propylsulfonylquinazolin-6-amine?
4-propylsulfonylquinazolin-6-amine has a molecular weight of 251.31 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylsulfonylquinazolin-6-amine is sourced from PubChem (CID 64586675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).