N-ethyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]ethanesulfonamide

C13H25N5O2S — CID 106343430

IUPACN-ethyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]ethanesulfonamide
SMILESCCCc1nc(NC)c(C)c(NCCS(=O)(=O)NCC)n1
InChIInChI=1S/C13H25N5O2S/c1-5-7-11-17-12(14-4)10(3)13(18-11)15-8-9-21(19,20)16-6-2/h16H,5-9H2,1-4H3,(H2,14,15,17,18)
InChIKeyWPBIQJGHAMMIPQ-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.13
Rot. Bonds9

About N-ethyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]ethanesulfonamide

N-ethyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]ethanesulfonamide (PubChem CID 106343430) has the molecular formula C13H25N5O2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-ethyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]ethanesulfonamide
PubChem CID106343430
Molecular FormulaC13H25N5O2S
Molecular Weight315.44 g/mol
Exact Mass315.17
IUPAC NameN-ethyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]ethanesulfonamide
SMILESCCCc1nc(NC)c(C)c(NCCS(=O)(=O)NCC)n1
InChIInChI=1S/C13H25N5O2S/c1-5-7-11-17-12(14-4)10(3)13(18-11)15-8-9-21(19,20)16-6-2/h16H,5-9H2,1-4H3,(H2,14,15,17,18)
InChIKeyWPBIQJGHAMMIPQ-UHFFFAOYSA-N
XLogP1.13
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-ethyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]ethanesulfonamide?
The IUPAC name of N-ethyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]ethanesulfonamide (CID 106343430) is N-ethyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]ethanesulfonamide?
The canonical SMILES for N-ethyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]ethanesulfonamide is CCCc1nc(NC)c(C)c(NCCS(=O)(=O)NCC)n1.
What is the InChIKey of N-ethyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]ethanesulfonamide?
The InChIKey is WPBIQJGHAMMIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2S/c1-5-7-11-17-12(14-4)10(3)13(18-11)15-8-9-21(19,20)16-6-2/h16H,5-9H2,1-4H3,(H2,14,15,17,18).
What are the key properties of N-ethyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]ethanesulfonamide?
N-ethyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]ethanesulfonamide has a molecular weight of 315.44 g/mol, XLogP of 1.13, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]ethanesulfonamide is sourced from PubChem (CID 106343430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).