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

C9H16N4O4S — CID 136757569

IUPAC2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
SMILESCOc1c(NCCS(=O)(=O)N(C)C)nc[nH]c1=O
InChIInChI=1S/C9H16N4O4S/c1-13(2)18(15,16)5-4-10-8-7(17-3)9(14)12-6-11-8/h6H,4-5H2,1-3H3,(H2,10,11,12,14)
InChIKeyQOMLYDVVAXAPAZ-UHFFFAOYSA-N
MW276.32 g/mol
LogP-0.92
Rot. Bonds6

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

2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide (PubChem CID 136757569) has the molecular formula C9H16N4O4S and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
PubChem CID136757569
Molecular FormulaC9H16N4O4S
Molecular Weight276.32 g/mol
Exact Mass276.09
IUPAC Name2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
SMILESCOc1c(NCCS(=O)(=O)N(C)C)nc[nH]c1=O
InChIInChI=1S/C9H16N4O4S/c1-13(2)18(15,16)5-4-10-8-7(17-3)9(14)12-6-11-8/h6H,4-5H2,1-3H3,(H2,10,11,12,14)
InChIKeyQOMLYDVVAXAPAZ-UHFFFAOYSA-N
XLogP-0.92
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide (CID 136757569) is 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide is COc1c(NCCS(=O)(=O)N(C)C)nc[nH]c1=O.
What is the InChIKey of 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide?
The InChIKey is QOMLYDVVAXAPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O4S/c1-13(2)18(15,16)5-4-10-8-7(17-3)9(14)12-6-11-8/h6H,4-5H2,1-3H3,(H2,10,11,12,14).
What are the key properties of 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide?
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide has a molecular weight of 276.32 g/mol, XLogP of -0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 136757569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).