N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide

C9H16N4O4S — CID 136757561

IUPACN-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1nc[nH]c(=O)c1OC
InChIInChI=1S/C9H16N4O4S/c1-3-13-18(15,16)5-4-10-8-7(17-2)9(14)12-6-11-8/h6,13H,3-5H2,1-2H3,(H2,10,11,12,14)
InChIKeyKQPWZXWKEOPGCT-UHFFFAOYSA-N
MW276.32 g/mol
LogP-0.87
Rot. Bonds7

About N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide

N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide (PubChem CID 136757561) has the molecular formula C9H16N4O4S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide
PubChem CID136757561
Molecular FormulaC9H16N4O4S
Molecular Weight276.32 g/mol
Exact Mass276.09
IUPAC NameN-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1nc[nH]c(=O)c1OC
InChIInChI=1S/C9H16N4O4S/c1-3-13-18(15,16)5-4-10-8-7(17-2)9(14)12-6-11-8/h6,13H,3-5H2,1-2H3,(H2,10,11,12,14)
InChIKeyKQPWZXWKEOPGCT-UHFFFAOYSA-N
XLogP-0.87
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 136757532
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 136757569
N-[2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 136974030
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide
CID 136974035
5-methoxy-4-(2-methylsulfonylethylamino)-1H-pyrimidin-6-one
CID 136974230
N-ethyl-N-[3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 136974416
5-methoxy-4-(3-methylsulfonylpropylamino)-1H-pyrimidin-6-one
CID 136974446
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propane-1-sulfonamide
CID 136975173
N-[1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 136975775
5-methoxy-4-(2-methylsulfanylethylamino)-1H-pyrimidin-6-one
CID 136975800
5-methoxy-4-(1-methylsulfonylpropan-2-ylamino)-1H-pyrimidin-6-one
CID 136976004
5-methoxy-4-[(2-methyl-2-methylsulfonylpropyl)amino]-1H-pyrimidin-6-one
CID 136976341

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
The IUPAC name of N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide (CID 136757561) is N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
The canonical SMILES for N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide is CCNS(=O)(=O)CCNc1nc[nH]c(=O)c1OC.
What is the InChIKey of N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
The InChIKey is KQPWZXWKEOPGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O4S/c1-3-13-18(15,16)5-4-10-8-7(17-2)9(14)12-6-11-8/h6,13H,3-5H2,1-2H3,(H2,10,11,12,14).
What are the key properties of N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide has a molecular weight of 276.32 g/mol, XLogP of -0.87, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide is sourced from PubChem (CID 136757561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).