N-[3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide

C11H21N5O2S — CID 106332284

IUPACN-[3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide
SMILESCCc1nc(NC)cc(NCCCNS(C)(=O)=O)n1
InChIInChI=1S/C11H21N5O2S/c1-4-9-15-10(12-2)8-11(16-9)13-6-5-7-14-19(3,17)18/h8,14H,4-7H2,1-3H3,(H2,12,13,15,16)
InChIKeyYXONIUXZUGCURL-UHFFFAOYSA-N
MW287.39 g/mol
LogP0.43
Rot. Bonds8

About N-[3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide

N-[3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide (PubChem CID 106332284) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide
PubChem CID106332284
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC NameN-[3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide
SMILESCCc1nc(NC)cc(NCCCNS(C)(=O)=O)n1
InChIInChI=1S/C11H21N5O2S/c1-4-9-15-10(12-2)8-11(16-9)13-6-5-7-14-19(3,17)18/h8,14H,4-7H2,1-3H3,(H2,12,13,15,16)
InChIKeyYXONIUXZUGCURL-UHFFFAOYSA-N
XLogP0.43
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide (CID 106332284) is N-[3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide is CCc1nc(NC)cc(NCCCNS(C)(=O)=O)n1.
What is the InChIKey of N-[3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide?
The InChIKey is YXONIUXZUGCURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-4-9-15-10(12-2)8-11(16-9)13-6-5-7-14-19(3,17)18/h8,14H,4-7H2,1-3H3,(H2,12,13,15,16).
What are the key properties of N-[3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide?
N-[3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide has a molecular weight of 287.39 g/mol, XLogP of 0.43, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide is sourced from PubChem (CID 106332284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).