N-ethyl-N-[3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide

C11H20N4O4S — CID 136974416

IUPACN-ethyl-N-[3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide
SMILESCCN(CCCNc1nc[nH]c(=O)c1OC)S(C)(=O)=O
InChIInChI=1S/C11H20N4O4S/c1-4-15(20(3,17)18)7-5-6-12-10-9(19-2)11(16)14-8-13-10/h8H,4-7H2,1-3H3,(H2,12,13,14,16)
InChIKeyBUWSMJJMYDVCHD-UHFFFAOYSA-N
MW304.37 g/mol
LogP-0.14
Rot. Bonds8

About N-ethyl-N-[3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide

N-ethyl-N-[3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide (PubChem CID 136974416) has the molecular formula C11H20N4O4S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-ethyl-N-[3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide
PubChem CID136974416
Molecular FormulaC11H20N4O4S
Molecular Weight304.37 g/mol
Exact Mass304.12
IUPAC NameN-ethyl-N-[3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide
SMILESCCN(CCCNc1nc[nH]c(=O)c1OC)S(C)(=O)=O
InChIInChI=1S/C11H20N4O4S/c1-4-15(20(3,17)18)7-5-6-12-10-9(19-2)11(16)14-8-13-10/h8H,4-7H2,1-3H3,(H2,12,13,14,16)
InChIKeyBUWSMJJMYDVCHD-UHFFFAOYSA-N
XLogP-0.14
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-ethyl-N-[3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide 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-N-[3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide (CID 136974416) is N-ethyl-N-[3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide is CCN(CCCNc1nc[nH]c(=O)c1OC)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide?
The InChIKey is BUWSMJJMYDVCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O4S/c1-4-15(20(3,17)18)7-5-6-12-10-9(19-2)11(16)14-8-13-10/h8H,4-7H2,1-3H3,(H2,12,13,14,16).
What are the key properties of N-ethyl-N-[3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide?
N-ethyl-N-[3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide has a molecular weight of 304.37 g/mol, XLogP of -0.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide is sourced from PubChem (CID 136974416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).