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

C13H17N3O2S — CID 133386758

IUPACN-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine
SMILESCC(CCS(C)(=O)=O)Nc1ncnc2ccccc12
InChIInChI=1S/C13H17N3O2S/c1-10(7-8-19(2,17)18)16-13-11-5-3-4-6-12(11)14-9-15-13/h3-6,9-10H,7-8H2,1-2H3,(H,14,15,16)
InChIKeyFVIGBDXPOMDSKG-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.86
Rot. Bonds5

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

N-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine (PubChem CID 133386758) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine
PubChem CID133386758
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC NameN-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine
SMILESCC(CCS(C)(=O)=O)Nc1ncnc2ccccc12
InChIInChI=1S/C13H17N3O2S/c1-10(7-8-19(2,17)18)16-13-11-5-3-4-6-12(11)14-9-15-13/h3-6,9-10H,7-8H2,1-2H3,(H,14,15,16)
InChIKeyFVIGBDXPOMDSKG-UHFFFAOYSA-N
XLogP1.86
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine
CID 133386780
N-heptan-2-ylquinazolin-4-amine
CID 54950682
N-undecan-2-ylquinazolin-4-amine
CID 86111387
4-methyl-3-N-quinazolin-4-ylpentane-1,3-diamine
CID 114178266
3-chloro-N-(4-methylsulfonylbutan-2-yl)pyridin-2-amine
CID 133386738
N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinazolin-4-amine
CID 133344209
N-(1-chloro-3-methylbutan-2-yl)quinazolin-4-amine
CID 79266861
N-(4-methylsulfonylbutan-2-yl)pyrimidin-2-amine
CID 133386855
(2R)-4-methyl-2-(quinazolin-4-ylamino)pentanoate
CID 6922206
2-(quinazolin-4-ylamino)pentanoic acid
CID 3356607
2-(4-methylsulfonylbutan-2-ylamino)pyridine-3-carbonitrile
CID 133386763
N-(1-chloro-4-methylpentan-2-yl)quinazolin-4-amine
CID 65029030

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine?
The IUPAC name of N-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine (CID 133386758) is N-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine.
What is the SMILES notation for N-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine?
The canonical SMILES for N-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine is CC(CCS(C)(=O)=O)Nc1ncnc2ccccc12.
What is the InChIKey of N-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine?
The InChIKey is FVIGBDXPOMDSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-10(7-8-19(2,17)18)16-13-11-5-3-4-6-12(11)14-9-15-13/h3-6,9-10H,7-8H2,1-2H3,(H,14,15,16).
What are the key properties of N-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine?
N-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine has a molecular weight of 279.36 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine is sourced from PubChem (CID 133386758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).