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

C7H11N3O2S — CID 136957237

IUPAC4-(2-methylsulfinylethylamino)-1H-pyrimidin-6-one
SMILESCS(=O)CCNc1cc(=O)[nH]cn1
InChIInChI=1S/C7H11N3O2S/c1-13(12)3-2-8-6-4-7(11)10-5-9-6/h4-5H,2-3H2,1H3,(H2,8,9,10,11)
InChIKeyRZPDSMUVSDOBKJ-UHFFFAOYSA-N
MW201.25 g/mol
LogP-0.44
Rot. Bonds4

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

4-(2-methylsulfinylethylamino)-1H-pyrimidin-6-one (PubChem CID 136957237) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 4-(2-methylsulfinylethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-methylsulfinylethylamino)-1H-pyrimidin-6-one
PubChem CID136957237
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name4-(2-methylsulfinylethylamino)-1H-pyrimidin-6-one
SMILESCS(=O)CCNc1cc(=O)[nH]cn1
InChIInChI=1S/C7H11N3O2S/c1-13(12)3-2-8-6-4-7(11)10-5-9-6/h4-5H,2-3H2,1H3,(H2,8,9,10,11)
InChIKeyRZPDSMUVSDOBKJ-UHFFFAOYSA-N
XLogP-0.44
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfinylethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-methylsulfinylethylamino)-1H-pyrimidin-6-one (CID 136957237) is 4-(2-methylsulfinylethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-methylsulfinylethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-methylsulfinylethylamino)-1H-pyrimidin-6-one is CS(=O)CCNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(2-methylsulfinylethylamino)-1H-pyrimidin-6-one?
The InChIKey is RZPDSMUVSDOBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-13(12)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-methylsulfinylethylamino)-1H-pyrimidin-6-one?
4-(2-methylsulfinylethylamino)-1H-pyrimidin-6-one has a molecular weight of 201.25 g/mol, XLogP of -0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfinylethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136957237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).