4-(2-ethylsulfonylethylamino)-2-methyl-1H-pyrimidin-6-one

C9H15N3O3S — CID 136870783

IUPAC4-(2-ethylsulfonylethylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCCS(=O)(=O)CCNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C9H15N3O3S/c1-3-16(14,15)5-4-10-8-6-9(13)12-7(2)11-8/h6H,3-5H2,1-2H3,(H2,10,11,12,13)
InChIKeySTIBMNYNBYOSNS-UHFFFAOYSA-N
MW245.30 g/mol
LogP-0.08
Rot. Bonds5

About 4-(2-ethylsulfonylethylamino)-2-methyl-1H-pyrimidin-6-one

4-(2-ethylsulfonylethylamino)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136870783) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is 4-(2-ethylsulfonylethylamino)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-ethylsulfonylethylamino)-2-methyl-1H-pyrimidin-6-one
PubChem CID136870783
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name4-(2-ethylsulfonylethylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCCS(=O)(=O)CCNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C9H15N3O3S/c1-3-16(14,15)5-4-10-8-6-9(13)12-7(2)11-8/h6H,3-5H2,1-2H3,(H2,10,11,12,13)
InChIKeySTIBMNYNBYOSNS-UHFFFAOYSA-N
XLogP-0.08
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylsulfonylethylamino)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-ethylsulfonylethylamino)-2-methyl-1H-pyrimidin-6-one (CID 136870783) is 4-(2-ethylsulfonylethylamino)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-ethylsulfonylethylamino)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-ethylsulfonylethylamino)-2-methyl-1H-pyrimidin-6-one is CCS(=O)(=O)CCNc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-(2-ethylsulfonylethylamino)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is STIBMNYNBYOSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-3-16(14,15)5-4-10-8-6-9(13)12-7(2)11-8/h6H,3-5H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 4-(2-ethylsulfonylethylamino)-2-methyl-1H-pyrimidin-6-one?
4-(2-ethylsulfonylethylamino)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 245.30 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylsulfonylethylamino)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136870783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).