N-ethyl-N-[3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide

C11H20N4O3S — CID 136956231

IUPACN-ethyl-N-[3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide
SMILESCCN(CCCNc1cc(=O)[nH]c(C)n1)S(C)(=O)=O
InChIInChI=1S/C11H20N4O3S/c1-4-15(19(3,17)18)7-5-6-12-10-8-11(16)14-9(2)13-10/h8H,4-7H2,1-3H3,(H2,12,13,14,16)
InChIKeyGXBIPJYYBWWDEY-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.16
Rot. Bonds7

About N-ethyl-N-[3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide

N-ethyl-N-[3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide (PubChem CID 136956231) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-ethyl-N-[3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide
PubChem CID136956231
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC NameN-ethyl-N-[3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide
SMILESCCN(CCCNc1cc(=O)[nH]c(C)n1)S(C)(=O)=O
InChIInChI=1S/C11H20N4O3S/c1-4-15(19(3,17)18)7-5-6-12-10-8-11(16)14-9(2)13-10/h8H,4-7H2,1-3H3,(H2,12,13,14,16)
InChIKeyGXBIPJYYBWWDEY-UHFFFAOYSA-N
XLogP0.16
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.16
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide (CID 136956231) is N-ethyl-N-[3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide is CCN(CCCNc1cc(=O)[nH]c(C)n1)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide?
The InChIKey is GXBIPJYYBWWDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-4-15(19(3,17)18)7-5-6-12-10-8-11(16)14-9(2)13-10/h8H,4-7H2,1-3H3,(H2,12,13,14,16).
What are the key properties of N-ethyl-N-[3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide?
N-ethyl-N-[3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide is sourced from PubChem (CID 136956231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).