5-chloro-4-(2-methylsulfinylethylamino)-1H-pyrimidin-6-one

C7H10ClN3O2S — CID 136977133

IUPAC5-chloro-4-(2-methylsulfinylethylamino)-1H-pyrimidin-6-one
SMILESCS(=O)CCNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C7H10ClN3O2S/c1-14(13)3-2-9-6-5(8)7(12)11-4-10-6/h4H,2-3H2,1H3,(H2,9,10,11,12)
InChIKeyQDKYUFGIANWXET-UHFFFAOYSA-N
MW235.70 g/mol
LogP0.21
Rot. Bonds4

About 5-chloro-4-(2-methylsulfinylethylamino)-1H-pyrimidin-6-one

5-chloro-4-(2-methylsulfinylethylamino)-1H-pyrimidin-6-one (PubChem CID 136977133) has the molecular formula C7H10ClN3O2S and a molecular weight of 235.70 g/mol. Its IUPAC name is 5-chloro-4-(2-methylsulfinylethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(2-methylsulfinylethylamino)-1H-pyrimidin-6-one
PubChem CID136977133
Molecular FormulaC7H10ClN3O2S
Molecular Weight235.70 g/mol
Exact Mass235.02
IUPAC Name5-chloro-4-(2-methylsulfinylethylamino)-1H-pyrimidin-6-one
SMILESCS(=O)CCNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C7H10ClN3O2S/c1-14(13)3-2-9-6-5(8)7(12)11-4-10-6/h4H,2-3H2,1H3,(H2,9,10,11,12)
InChIKeyQDKYUFGIANWXET-UHFFFAOYSA-N
XLogP0.21
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.70
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-(2-methylsulfinylethylamino)-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 5-chloro-4-(2-methylsulfinylethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(2-methylsulfinylethylamino)-1H-pyrimidin-6-one (CID 136977133) is 5-chloro-4-(2-methylsulfinylethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(2-methylsulfinylethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(2-methylsulfinylethylamino)-1H-pyrimidin-6-one is CS(=O)CCNc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-(2-methylsulfinylethylamino)-1H-pyrimidin-6-one?
The InChIKey is QDKYUFGIANWXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2S/c1-14(13)3-2-9-6-5(8)7(12)11-4-10-6/h4H,2-3H2,1H3,(H2,9,10,11,12).
What are the key properties of 5-chloro-4-(2-methylsulfinylethylamino)-1H-pyrimidin-6-one?
5-chloro-4-(2-methylsulfinylethylamino)-1H-pyrimidin-6-one has a molecular weight of 235.70 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-methylsulfinylethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136977133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).