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

C10H18N4O3S — CID 136956233

IUPACN-ethyl-N-[3-[(6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide
SMILESCCN(CCCNc1cc(=O)[nH]cn1)S(C)(=O)=O
InChIInChI=1S/C10H18N4O3S/c1-3-14(18(2,16)17)6-4-5-11-9-7-10(15)13-8-12-9/h7-8H,3-6H2,1-2H3,(H2,11,12,13,15)
InChIKeyUIVPCBOXIIXJNM-UHFFFAOYSA-N
MW274.35 g/mol
LogP-0.15
Rot. Bonds7

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

N-ethyl-N-[3-[(6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide (PubChem CID 136956233) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-ethyl-N-[3-[(6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-[(6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide
PubChem CID136956233
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC NameN-ethyl-N-[3-[(6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide
SMILESCCN(CCCNc1cc(=O)[nH]cn1)S(C)(=O)=O
InChIInChI=1S/C10H18N4O3S/c1-3-14(18(2,16)17)6-4-5-11-9-7-10(15)13-8-12-9/h7-8H,3-6H2,1-2H3,(H2,11,12,13,15)
InChIKeyUIVPCBOXIIXJNM-UHFFFAOYSA-N
XLogP-0.15
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-0.15
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-[(6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-[(6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide (CID 136956233) is N-ethyl-N-[3-[(6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-[(6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-[(6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide is CCN(CCCNc1cc(=O)[nH]cn1)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[3-[(6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide?
The InChIKey is UIVPCBOXIIXJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-3-14(18(2,16)17)6-4-5-11-9-7-10(15)13-8-12-9/h7-8H,3-6H2,1-2H3,(H2,11,12,13,15).
What are the key properties of N-ethyl-N-[3-[(6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide?
N-ethyl-N-[3-[(6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide has a molecular weight of 274.35 g/mol, XLogP of -0.15, 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-[(6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide is sourced from PubChem (CID 136956233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).