6-amino-1-(2-hydroxyethyl)-3-methyl-2-sulfanylidenepyrimidin-4-one

C7H11N3O2S — CID 130017604

IUPAC6-amino-1-(2-hydroxyethyl)-3-methyl-2-sulfanylidenepyrimidin-4-one
SMILESCn1c(=O)cc(N)n(CCO)c1=S
InChIInChI=1S/C7H11N3O2S/c1-9-6(12)4-5(8)10(2-3-11)7(9)13/h4,11H,2-3,8H2,1H3
InChIKeyOGOMLDFTIUOJRT-UHFFFAOYSA-N
MW201.25 g/mol
LogP-0.51
Rot. Bonds2

About 6-amino-1-(2-hydroxyethyl)-3-methyl-2-sulfanylidenepyrimidin-4-one

6-amino-1-(2-hydroxyethyl)-3-methyl-2-sulfanylidenepyrimidin-4-one (PubChem CID 130017604) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 6-amino-1-(2-hydroxyethyl)-3-methyl-2-sulfanylidenepyrimidin-4-one.

Molecular Properties

Compound Name6-amino-1-(2-hydroxyethyl)-3-methyl-2-sulfanylidenepyrimidin-4-one
PubChem CID130017604
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name6-amino-1-(2-hydroxyethyl)-3-methyl-2-sulfanylidenepyrimidin-4-one
SMILESCn1c(=O)cc(N)n(CCO)c1=S
InChIInChI=1S/C7H11N3O2S/c1-9-6(12)4-5(8)10(2-3-11)7(9)13/h4,11H,2-3,8H2,1H3
InChIKeyOGOMLDFTIUOJRT-UHFFFAOYSA-N
XLogP-0.51
TPSA73.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-hydroxyethyl)-3-methyl-2-sulfanylidenepyrimidin-4-one?
The IUPAC name of 6-amino-1-(2-hydroxyethyl)-3-methyl-2-sulfanylidenepyrimidin-4-one (CID 130017604) is 6-amino-1-(2-hydroxyethyl)-3-methyl-2-sulfanylidenepyrimidin-4-one.
What is the SMILES notation for 6-amino-1-(2-hydroxyethyl)-3-methyl-2-sulfanylidenepyrimidin-4-one?
The canonical SMILES for 6-amino-1-(2-hydroxyethyl)-3-methyl-2-sulfanylidenepyrimidin-4-one is Cn1c(=O)cc(N)n(CCO)c1=S.
What is the InChIKey of 6-amino-1-(2-hydroxyethyl)-3-methyl-2-sulfanylidenepyrimidin-4-one?
The InChIKey is OGOMLDFTIUOJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-9-6(12)4-5(8)10(2-3-11)7(9)13/h4,11H,2-3,8H2,1H3.
What are the key properties of 6-amino-1-(2-hydroxyethyl)-3-methyl-2-sulfanylidenepyrimidin-4-one?
6-amino-1-(2-hydroxyethyl)-3-methyl-2-sulfanylidenepyrimidin-4-one has a molecular weight of 201.25 g/mol, XLogP of -0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-hydroxyethyl)-3-methyl-2-sulfanylidenepyrimidin-4-one is sourced from PubChem (CID 130017604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).