N-ethyl-N-(2-methylbutyl)-2-(propylamino)pyrimidine-5-sulfonamide

C14H26N4O2S — CID 79481846

IUPACN-ethyl-N-(2-methylbutyl)-2-(propylamino)pyrimidine-5-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)N(CC)CC(C)CC)cn1
InChIInChI=1S/C14H26N4O2S/c1-5-8-15-14-16-9-13(10-17-14)21(19,20)18(7-3)11-12(4)6-2/h9-10,12H,5-8,11H2,1-4H3,(H,15,16,17)
InChIKeyZDGHNHDAWBPETH-UHFFFAOYSA-N
MW314.46 g/mol
LogP2.36
Rot. Bonds9

About N-ethyl-N-(2-methylbutyl)-2-(propylamino)pyrimidine-5-sulfonamide

N-ethyl-N-(2-methylbutyl)-2-(propylamino)pyrimidine-5-sulfonamide (PubChem CID 79481846) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is N-ethyl-N-(2-methylbutyl)-2-(propylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylbutyl)-2-(propylamino)pyrimidine-5-sulfonamide
PubChem CID79481846
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC NameN-ethyl-N-(2-methylbutyl)-2-(propylamino)pyrimidine-5-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)N(CC)CC(C)CC)cn1
InChIInChI=1S/C14H26N4O2S/c1-5-8-15-14-16-9-13(10-17-14)21(19,20)18(7-3)11-12(4)6-2/h9-10,12H,5-8,11H2,1-4H3,(H,15,16,17)
InChIKeyZDGHNHDAWBPETH-UHFFFAOYSA-N
XLogP2.36
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-propyl-2-(propylamino)pyrimidine-5-sulfonamide
CID 55044432
N,N-dipropyl-2-(propylamino)pyrimidine-5-sulfonamide
CID 62150752
N-butan-2-yl-N-methyl-2-(propylamino)pyrimidine-5-sulfonamide
CID 55044291
N-ethyl-N-(2-methylpropyl)-6-(propylamino)pyridine-3-sulfonamide
CID 62143975
N-ethyl-6-hydrazinyl-N-(2-methylbutyl)pyridine-3-sulfonamide
CID 79469996
N-(2-cyanopropyl)-N-methyl-2-(propylamino)pyrimidine-5-sulfonamide
CID 62159264
N-methyl-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide
CID 62145628
N-cyclopentyl-N-ethyl-2-(propylamino)pyrimidine-5-sulfonamide
CID 62148028
2-chloro-N-ethyl-N-(2-methylbutyl)-1,3-thiazole-5-sulfonamide
CID 79481379
4-[ethyl(2-methylbutyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791690
N-methyl-2-(propylamino)-N-pyridin-4-ylpyrimidine-5-sulfonamide
CID 106937024
N,2-diethyl-N-(2-methylbutyl)-1H-imidazole-5-sulfonamide
CID 79470009

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylbutyl)-2-(propylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N-ethyl-N-(2-methylbutyl)-2-(propylamino)pyrimidine-5-sulfonamide (CID 79481846) is N-ethyl-N-(2-methylbutyl)-2-(propylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-ethyl-N-(2-methylbutyl)-2-(propylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N-ethyl-N-(2-methylbutyl)-2-(propylamino)pyrimidine-5-sulfonamide is CCCNc1ncc(S(=O)(=O)N(CC)CC(C)CC)cn1.
What is the InChIKey of N-ethyl-N-(2-methylbutyl)-2-(propylamino)pyrimidine-5-sulfonamide?
The InChIKey is ZDGHNHDAWBPETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-5-8-15-14-16-9-13(10-17-14)21(19,20)18(7-3)11-12(4)6-2/h9-10,12H,5-8,11H2,1-4H3,(H,15,16,17).
What are the key properties of N-ethyl-N-(2-methylbutyl)-2-(propylamino)pyrimidine-5-sulfonamide?
N-ethyl-N-(2-methylbutyl)-2-(propylamino)pyrimidine-5-sulfonamide has a molecular weight of 314.46 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylbutyl)-2-(propylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 79481846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).