5-methyl-N-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine

C14H19N3O2S — CID 133386780

IUPAC5-methyl-N-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine
SMILESCc1cccc2ncnc(NC(C)CCS(C)(=O)=O)c12
InChIInChI=1S/C14H19N3O2S/c1-10-5-4-6-12-13(10)14(16-9-15-12)17-11(2)7-8-20(3,18)19/h4-6,9,11H,7-8H2,1-3H3,(H,15,16,17)
InChIKeyXMBUDSFDCZKHPI-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.17
Rot. Bonds5

About 5-methyl-N-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine

5-methyl-N-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine (PubChem CID 133386780) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 5-methyl-N-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine.

Molecular Properties

Compound Name5-methyl-N-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine
PubChem CID133386780
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name5-methyl-N-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine
SMILESCc1cccc2ncnc(NC(C)CCS(C)(=O)=O)c12
InChIInChI=1S/C14H19N3O2S/c1-10-5-4-6-12-13(10)14(16-9-15-12)17-11(2)7-8-20(3,18)19/h4-6,9,11H,7-8H2,1-3H3,(H,15,16,17)
InChIKeyXMBUDSFDCZKHPI-UHFFFAOYSA-N
XLogP2.17
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine?
The IUPAC name of 5-methyl-N-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine (CID 133386780) is 5-methyl-N-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine.
What is the SMILES notation for 5-methyl-N-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine?
The canonical SMILES for 5-methyl-N-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine is Cc1cccc2ncnc(NC(C)CCS(C)(=O)=O)c12.
What is the InChIKey of 5-methyl-N-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine?
The InChIKey is XMBUDSFDCZKHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-10-5-4-6-12-13(10)14(16-9-15-12)17-11(2)7-8-20(3,18)19/h4-6,9,11H,7-8H2,1-3H3,(H,15,16,17).
What are the key properties of 5-methyl-N-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine?
5-methyl-N-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine has a molecular weight of 293.39 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine is sourced from PubChem (CID 133386780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).