N-(5-butyl-4-propan-2-ylpyrimidin-2-yl)ethanesulfonamide

C13H23N3O2S — CID 126704001

IUPACN-(5-butyl-4-propan-2-ylpyrimidin-2-yl)ethanesulfonamide
SMILESCCCCc1cnc(NS(=O)(=O)CC)nc1C(C)C
InChIInChI=1S/C13H23N3O2S/c1-5-7-8-11-9-14-13(15-12(11)10(3)4)16-19(17,18)6-2/h9-10H,5-8H2,1-4H3,(H,14,15,16)
InChIKeyYBYGFEUVZOJVJI-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.70
Rot. Bonds7

About N-(5-butyl-4-propan-2-ylpyrimidin-2-yl)ethanesulfonamide

N-(5-butyl-4-propan-2-ylpyrimidin-2-yl)ethanesulfonamide (PubChem CID 126704001) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(5-butyl-4-propan-2-ylpyrimidin-2-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(5-butyl-4-propan-2-ylpyrimidin-2-yl)ethanesulfonamide
PubChem CID126704001
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-(5-butyl-4-propan-2-ylpyrimidin-2-yl)ethanesulfonamide
SMILESCCCCc1cnc(NS(=O)(=O)CC)nc1C(C)C
InChIInChI=1S/C13H23N3O2S/c1-5-7-8-11-9-14-13(15-12(11)10(3)4)16-19(17,18)6-2/h9-10H,5-8H2,1-4H3,(H,14,15,16)
InChIKeyYBYGFEUVZOJVJI-UHFFFAOYSA-N
XLogP2.70
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 159079953
CID 159079953
N-[5-butyl-4-(1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide
CID 118022060
N-[5-butyl-4-[5-(methoxymethyl)-3-oxo-2H-pyridin-2-yl]pyrimidin-2-yl]ethanesulfonamide
CID 172836422
5-(bromomethyl)-N-methyl-4-propan-2-ylpyrimidin-2-amine
CID 130483355
N-[4-(2-methyl-1-oxoisoquinolin-4-yl)-5-propylpyrimidin-2-yl]ethanesulfonamide
CID 118021681
N,4-dimethyl-5-pentylpyrimidin-2-amine
CID 63549616
2-amino-4-methyl-N-(4-methyl-5-pentylpyrimidin-2-yl)pentanamide;hydrate
CID 174832631
tributyl-[[2-(ethylsulfonylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-5-yl]methyl]phosphanium;2,2,2-trifluoroacetate
CID 67240949
N'-(5-hexyl-4-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 103278974
[2-(ethylsulfonylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-5-yl]methyl-triphenylphosphanium
CID 87105293
2-butyl-5-propan-2-ylbenzenesulfonamide
CID 142683434
2-(ethylamino)-N-pentyl-N-propan-2-ylpyrimidine-5-sulfonamide
CID 62157057

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-4-propan-2-ylpyrimidin-2-yl)ethanesulfonamide?
The IUPAC name of N-(5-butyl-4-propan-2-ylpyrimidin-2-yl)ethanesulfonamide (CID 126704001) is N-(5-butyl-4-propan-2-ylpyrimidin-2-yl)ethanesulfonamide.
What is the SMILES notation for N-(5-butyl-4-propan-2-ylpyrimidin-2-yl)ethanesulfonamide?
The canonical SMILES for N-(5-butyl-4-propan-2-ylpyrimidin-2-yl)ethanesulfonamide is CCCCc1cnc(NS(=O)(=O)CC)nc1C(C)C.
What is the InChIKey of N-(5-butyl-4-propan-2-ylpyrimidin-2-yl)ethanesulfonamide?
The InChIKey is YBYGFEUVZOJVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-5-7-8-11-9-14-13(15-12(11)10(3)4)16-19(17,18)6-2/h9-10H,5-8H2,1-4H3,(H,14,15,16).
What are the key properties of N-(5-butyl-4-propan-2-ylpyrimidin-2-yl)ethanesulfonamide?
N-(5-butyl-4-propan-2-ylpyrimidin-2-yl)ethanesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-4-propan-2-ylpyrimidin-2-yl)ethanesulfonamide is sourced from PubChem (CID 126704001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).