N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]ethanesulfonamide

C10H18N4O3S — CID 136757543

IUPACN-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]ethanesulfonamide
SMILESCNS(=O)(=O)CCNc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C10H18N4O3S/c1-7(2)10-13-8(6-9(15)14-10)12-4-5-18(16,17)11-3/h6-7,11H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyMZXRWZWYZSKNBV-UHFFFAOYSA-N
MW274.35 g/mol
LogP-0.15
Rot. Bonds6

About N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]ethanesulfonamide

N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]ethanesulfonamide (PubChem CID 136757543) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]ethanesulfonamide
PubChem CID136757543
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC NameN-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]ethanesulfonamide
SMILESCNS(=O)(=O)CCNc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C10H18N4O3S/c1-7(2)10-13-8(6-9(15)14-10)12-4-5-18(16,17)11-3/h6-7,11H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyMZXRWZWYZSKNBV-UHFFFAOYSA-N
XLogP-0.15
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
The IUPAC name of N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]ethanesulfonamide (CID 136757543) is N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]ethanesulfonamide.
What is the SMILES notation for N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
The canonical SMILES for N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]ethanesulfonamide is CNS(=O)(=O)CCNc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
The InChIKey is MZXRWZWYZSKNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-7(2)10-13-8(6-9(15)14-10)12-4-5-18(16,17)11-3/h6-7,11H,4-5H2,1-3H3,(H2,12,13,14,15).
What are the key properties of N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]ethanesulfonamide has a molecular weight of 274.35 g/mol, XLogP of -0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]ethanesulfonamide is sourced from PubChem (CID 136757543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).