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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Related Compounds

N-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine
CID 133386758
ethyl 3-[(5-methylquinazolin-4-yl)amino]butanoate
CID 133363416
2-methoxy-N-(5-methylquinazolin-4-yl)propane-1-sulfonamide
CID 154769119
N-(1-cyclobutylethyl)-5-methylquinazolin-4-amine
CID 133417844
3-chloro-N-(4-methylsulfonylbutan-2-yl)pyridin-2-amine
CID 133386738
3-[(5-methylquinazolin-4-yl)amino]-1-phenylbutan-2-ol
CID 133397480
N-(4-methylsulfonylbutan-2-yl)pyrimidin-2-amine
CID 133386855
2-(4-methylsulfonylbutan-2-ylamino)pyridine-3-carbonitrile
CID 133386763
2-methylsulfanyl-N-(4-methylsulfonylbutan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 133386861
5-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]quinazolin-4-amine
CID 133361511
7-chloro-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine
CID 133365714
5-methyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]quinazolin-4-amine
CID 86778576

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).