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

C8H13N3O2S — CID 136957265

IUPAC4-(2-ethylsulfinylethylamino)-1H-pyrimidin-6-one
SMILESCCS(=O)CCNc1cc(=O)[nH]cn1
InChIInChI=1S/C8H13N3O2S/c1-2-14(13)4-3-9-7-5-8(12)11-6-10-7/h5-6H,2-4H2,1H3,(H2,9,10,11,12)
InChIKeyRHDFXJUBIMRAIY-UHFFFAOYSA-N
MW215.28 g/mol
LogP-0.05
Rot. Bonds5

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

4-(2-ethylsulfinylethylamino)-1H-pyrimidin-6-one (PubChem CID 136957265) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 4-(2-ethylsulfinylethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-ethylsulfinylethylamino)-1H-pyrimidin-6-one
PubChem CID136957265
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name4-(2-ethylsulfinylethylamino)-1H-pyrimidin-6-one
SMILESCCS(=O)CCNc1cc(=O)[nH]cn1
InChIInChI=1S/C8H13N3O2S/c1-2-14(13)4-3-9-7-5-8(12)11-6-10-7/h5-6H,2-4H2,1H3,(H2,9,10,11,12)
InChIKeyRHDFXJUBIMRAIY-UHFFFAOYSA-N
XLogP-0.05
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-ethylsulfinylethylamino)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylsulfinylethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-ethylsulfinylethylamino)-1H-pyrimidin-6-one (CID 136957265) is 4-(2-ethylsulfinylethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-ethylsulfinylethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-ethylsulfinylethylamino)-1H-pyrimidin-6-one is CCS(=O)CCNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(2-ethylsulfinylethylamino)-1H-pyrimidin-6-one?
The InChIKey is RHDFXJUBIMRAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-2-14(13)4-3-9-7-5-8(12)11-6-10-7/h5-6H,2-4H2,1H3,(H2,9,10,11,12).
What are the key properties of 4-(2-ethylsulfinylethylamino)-1H-pyrimidin-6-one?
4-(2-ethylsulfinylethylamino)-1H-pyrimidin-6-one has a molecular weight of 215.28 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylsulfinylethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136957265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).