2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]pyrimidine

C10H19N5O2S — CID 114141697

IUPAC2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]pyrimidine
SMILESCCNCCCN(C)S(=O)(=O)Nc1ncccn1
InChIInChI=1S/C10H19N5O2S/c1-3-11-6-5-9-15(2)18(16,17)14-10-12-7-4-8-13-10/h4,7-8,11H,3,5-6,9H2,1-2H3,(H,12,13,14)
InChIKeyAYYUEOJCFUHOOR-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.06
Rot. Bonds8

About 2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]pyrimidine

2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]pyrimidine (PubChem CID 114141697) has the molecular formula C10H19N5O2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]pyrimidine.

Molecular Properties

Compound Name2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]pyrimidine
PubChem CID114141697
Molecular FormulaC10H19N5O2S
Molecular Weight273.36 g/mol
Exact Mass273.13
IUPAC Name2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]pyrimidine
SMILESCCNCCCN(C)S(=O)(=O)Nc1ncccn1
InChIInChI=1S/C10H19N5O2S/c1-3-11-6-5-9-15(2)18(16,17)14-10-12-7-4-8-13-10/h4,7-8,11H,3,5-6,9H2,1-2H3,(H,12,13,14)
InChIKeyAYYUEOJCFUHOOR-UHFFFAOYSA-N
XLogP0.06
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine
CID 106082471
5-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpyridine
CID 106073291
2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1-fluoro-3-methylbenzene
CID 106083766
1-chloro-3-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylbenzene
CID 106057400
2-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-1H-imidazole
CID 106085278
4-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]pyridine
CID 106022387
4-cyclopropyl-2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,3-thiazole
CID 106053665
1-bromo-4-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-fluorobenzene
CID 106067142
3-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-1,2,4-oxadiazole
CID 106411298
4-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylpyridine
CID 106083594
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methoxy-2-methylbenzene
CID 106056051
1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]imidazole
CID 106018170

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]pyrimidine?
The IUPAC name of 2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]pyrimidine (CID 114141697) is 2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]pyrimidine.
What is the SMILES notation for 2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]pyrimidine?
The canonical SMILES for 2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]pyrimidine is CCNCCCN(C)S(=O)(=O)Nc1ncccn1.
What is the InChIKey of 2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]pyrimidine?
The InChIKey is AYYUEOJCFUHOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2S/c1-3-11-6-5-9-15(2)18(16,17)14-10-12-7-4-8-13-10/h4,7-8,11H,3,5-6,9H2,1-2H3,(H,12,13,14).
What are the key properties of 2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]pyrimidine?
2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]pyrimidine has a molecular weight of 273.36 g/mol, XLogP of 0.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]pyrimidine is sourced from PubChem (CID 114141697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).