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

C9H16N4O3S — CID 136757542

IUPAC2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide
SMILESCCc1nc(NCCS(=O)(=O)NC)cc(=O)[nH]1
InChIInChI=1S/C9H16N4O3S/c1-3-7-12-8(6-9(14)13-7)11-4-5-17(15,16)10-2/h6,10H,3-5H2,1-2H3,(H2,11,12,13,14)
InChIKeyHKIQGDGPDXQTAH-UHFFFAOYSA-N
MW260.32 g/mol
LogP-0.71
Rot. Bonds6

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

2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide (PubChem CID 136757542) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide
PubChem CID136757542
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC Name2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide
SMILESCCc1nc(NCCS(=O)(=O)NC)cc(=O)[nH]1
InChIInChI=1S/C9H16N4O3S/c1-3-7-12-8(6-9(14)13-7)11-4-5-17(15,16)10-2/h6,10H,3-5H2,1-2H3,(H2,11,12,13,14)
InChIKeyHKIQGDGPDXQTAH-UHFFFAOYSA-N
XLogP-0.71
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide?
The IUPAC name of 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide (CID 136757542) is 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide is CCc1nc(NCCS(=O)(=O)NC)cc(=O)[nH]1.
What is the InChIKey of 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide?
The InChIKey is HKIQGDGPDXQTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-3-7-12-8(6-9(14)13-7)11-4-5-17(15,16)10-2/h6,10H,3-5H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide?
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide has a molecular weight of 260.32 g/mol, XLogP of -0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide is sourced from PubChem (CID 136757542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).