4-(2-methylsulfonylethylamino)-1H-pyrimidin-6-one

C7H11N3O3S — CID 136956193

IUPAC4-(2-methylsulfonylethylamino)-1H-pyrimidin-6-one
SMILESCS(=O)(=O)CCNc1cc(=O)[nH]cn1
InChIInChI=1S/C7H11N3O3S/c1-14(12,13)3-2-8-6-4-7(11)10-5-9-6/h4-5H,2-3H2,1H3,(H2,8,9,10,11)
InChIKeyINLBGIFKZRMENB-UHFFFAOYSA-N
MW217.25 g/mol
LogP-0.77
Rot. Bonds4

About 4-(2-methylsulfonylethylamino)-1H-pyrimidin-6-one

4-(2-methylsulfonylethylamino)-1H-pyrimidin-6-one (PubChem CID 136956193) has the molecular formula C7H11N3O3S and a molecular weight of 217.25 g/mol. Its IUPAC name is 4-(2-methylsulfonylethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-methylsulfonylethylamino)-1H-pyrimidin-6-one
PubChem CID136956193
Molecular FormulaC7H11N3O3S
Molecular Weight217.25 g/mol
Exact Mass217.05
IUPAC Name4-(2-methylsulfonylethylamino)-1H-pyrimidin-6-one
SMILESCS(=O)(=O)CCNc1cc(=O)[nH]cn1
InChIInChI=1S/C7H11N3O3S/c1-14(12,13)3-2-8-6-4-7(11)10-5-9-6/h4-5H,2-3H2,1H3,(H2,8,9,10,11)
InChIKeyINLBGIFKZRMENB-UHFFFAOYSA-N
XLogP-0.77
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfonylethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-methylsulfonylethylamino)-1H-pyrimidin-6-one (CID 136956193) is 4-(2-methylsulfonylethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-methylsulfonylethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-methylsulfonylethylamino)-1H-pyrimidin-6-one is CS(=O)(=O)CCNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(2-methylsulfonylethylamino)-1H-pyrimidin-6-one?
The InChIKey is INLBGIFKZRMENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3S/c1-14(12,13)3-2-8-6-4-7(11)10-5-9-6/h4-5H,2-3H2,1H3,(H2,8,9,10,11).
What are the key properties of 4-(2-methylsulfonylethylamino)-1H-pyrimidin-6-one?
4-(2-methylsulfonylethylamino)-1H-pyrimidin-6-one has a molecular weight of 217.25 g/mol, XLogP of -0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfonylethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).