4-methyl-2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-6-oxo-1H-pyrimidine

C11H20N4O3S — CID 137242283

IUPAC4-methyl-2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-6-oxo-1H-pyrimidine
SMILESCc1cc(=O)[nH]c(CCNS(=O)(=O)N(C)C(C)C)n1
InChIInChI=1S/C11H20N4O3S/c1-8(2)15(4)19(17,18)12-6-5-10-13-9(3)7-11(16)14-10/h7-8,12H,5-6H2,1-4H3,(H,13,14,16)
InChIKeySOVKBUAGBICPIN-UHFFFAOYSA-N
MW288.37 g/mol
LogP-0.20
Rot. Bonds6

About 4-methyl-2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-6-oxo-1H-pyrimidine

4-methyl-2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-6-oxo-1H-pyrimidine (PubChem CID 137242283) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-methyl-2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-6-oxo-1H-pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-6-oxo-1H-pyrimidine
PubChem CID137242283
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name4-methyl-2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-6-oxo-1H-pyrimidine
SMILESCc1cc(=O)[nH]c(CCNS(=O)(=O)N(C)C(C)C)n1
InChIInChI=1S/C11H20N4O3S/c1-8(2)15(4)19(17,18)12-6-5-10-13-9(3)7-11(16)14-10/h7-8,12H,5-6H2,1-4H3,(H,13,14,16)
InChIKeySOVKBUAGBICPIN-UHFFFAOYSA-N
XLogP-0.20
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-6-oxo-1H-pyrimidine?
The IUPAC name of 4-methyl-2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-6-oxo-1H-pyrimidine (CID 137242283) is 4-methyl-2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-6-oxo-1H-pyrimidine.
What is the SMILES notation for 4-methyl-2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-6-oxo-1H-pyrimidine?
The canonical SMILES for 4-methyl-2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-6-oxo-1H-pyrimidine is Cc1cc(=O)[nH]c(CCNS(=O)(=O)N(C)C(C)C)n1.
What is the InChIKey of 4-methyl-2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-6-oxo-1H-pyrimidine?
The InChIKey is SOVKBUAGBICPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-8(2)15(4)19(17,18)12-6-5-10-13-9(3)7-11(16)14-10/h7-8,12H,5-6H2,1-4H3,(H,13,14,16).
What are the key properties of 4-methyl-2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-6-oxo-1H-pyrimidine?
4-methyl-2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-6-oxo-1H-pyrimidine has a molecular weight of 288.37 g/mol, XLogP of -0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-6-oxo-1H-pyrimidine is sourced from PubChem (CID 137242283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).