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

C10H17N3O3S — CID 136750490

IUPAC2-ethyl-4-(2-ethylsulfonylethylamino)-1H-pyrimidin-6-one
SMILESCCc1nc(NCCS(=O)(=O)CC)cc(=O)[nH]1
InChIInChI=1S/C10H17N3O3S/c1-3-8-12-9(7-10(14)13-8)11-5-6-17(15,16)4-2/h7H,3-6H2,1-2H3,(H2,11,12,13,14)
InChIKeyBZJBVMFAFXBAGE-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.18
Rot. Bonds6

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

2-ethyl-4-(2-ethylsulfonylethylamino)-1H-pyrimidin-6-one (PubChem CID 136750490) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-ethyl-4-(2-ethylsulfonylethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(2-ethylsulfonylethylamino)-1H-pyrimidin-6-one
PubChem CID136750490
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name2-ethyl-4-(2-ethylsulfonylethylamino)-1H-pyrimidin-6-one
SMILESCCc1nc(NCCS(=O)(=O)CC)cc(=O)[nH]1
InChIInChI=1S/C10H17N3O3S/c1-3-8-12-9(7-10(14)13-8)11-5-6-17(15,16)4-2/h7H,3-6H2,1-2H3,(H2,11,12,13,14)
InChIKeyBZJBVMFAFXBAGE-UHFFFAOYSA-N
XLogP0.18
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-ethylsulfonylethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(2-ethylsulfonylethylamino)-1H-pyrimidin-6-one (CID 136750490) is 2-ethyl-4-(2-ethylsulfonylethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(2-ethylsulfonylethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(2-ethylsulfonylethylamino)-1H-pyrimidin-6-one is CCc1nc(NCCS(=O)(=O)CC)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(2-ethylsulfonylethylamino)-1H-pyrimidin-6-one?
The InChIKey is BZJBVMFAFXBAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-3-8-12-9(7-10(14)13-8)11-5-6-17(15,16)4-2/h7H,3-6H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 2-ethyl-4-(2-ethylsulfonylethylamino)-1H-pyrimidin-6-one?
2-ethyl-4-(2-ethylsulfonylethylamino)-1H-pyrimidin-6-one has a molecular weight of 259.33 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-ethylsulfonylethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136750490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).