5-amino-2-(2-ethylsulfinylethylamino)-1H-pyrimidin-6-one

C8H14N4O2S — CID 20570032

IUPAC5-amino-2-(2-ethylsulfinylethylamino)-1H-pyrimidin-6-one
SMILESCCS(=O)CCNc1ncc(N)c(=O)[nH]1
InChIInChI=1S/C8H14N4O2S/c1-2-15(14)4-3-10-8-11-5-6(9)7(13)12-8/h5H,2-4,9H2,1H3,(H2,10,11,12,13)
InChIKeyTZECNHUJGVYBIK-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.47
Rot. Bonds5

About 5-amino-2-(2-ethylsulfinylethylamino)-1H-pyrimidin-6-one

5-amino-2-(2-ethylsulfinylethylamino)-1H-pyrimidin-6-one (PubChem CID 20570032) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 5-amino-2-(2-ethylsulfinylethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-2-(2-ethylsulfinylethylamino)-1H-pyrimidin-6-one
PubChem CID20570032
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name5-amino-2-(2-ethylsulfinylethylamino)-1H-pyrimidin-6-one
SMILESCCS(=O)CCNc1ncc(N)c(=O)[nH]1
InChIInChI=1S/C8H14N4O2S/c1-2-15(14)4-3-10-8-11-5-6(9)7(13)12-8/h5H,2-4,9H2,1H3,(H2,10,11,12,13)
InChIKeyTZECNHUJGVYBIK-UHFFFAOYSA-N
XLogP-0.47
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-ethylsulfinylethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-2-(2-ethylsulfinylethylamino)-1H-pyrimidin-6-one (CID 20570032) is 5-amino-2-(2-ethylsulfinylethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-2-(2-ethylsulfinylethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-2-(2-ethylsulfinylethylamino)-1H-pyrimidin-6-one is CCS(=O)CCNc1ncc(N)c(=O)[nH]1.
What is the InChIKey of 5-amino-2-(2-ethylsulfinylethylamino)-1H-pyrimidin-6-one?
The InChIKey is TZECNHUJGVYBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-2-15(14)4-3-10-8-11-5-6(9)7(13)12-8/h5H,2-4,9H2,1H3,(H2,10,11,12,13).
What are the key properties of 5-amino-2-(2-ethylsulfinylethylamino)-1H-pyrimidin-6-one?
5-amino-2-(2-ethylsulfinylethylamino)-1H-pyrimidin-6-one has a molecular weight of 230.29 g/mol, XLogP of -0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-ethylsulfinylethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 20570032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).