6-amino-3-(2-ethoxyethyl)-2-methylsulfanylpyrimidin-4-one

C9H15N3O2S — CID 23525167

IUPAC6-amino-3-(2-ethoxyethyl)-2-methylsulfanylpyrimidin-4-one
SMILESCCOCCn1c(SC)nc(N)cc1=O
InChIInChI=1S/C9H15N3O2S/c1-3-14-5-4-12-8(13)6-7(10)11-9(12)15-2/h6H,3-5,10H2,1-2H3
InChIKeyGFNYBTJFBGCTGQ-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.58
Rot. Bonds5

About 6-amino-3-(2-ethoxyethyl)-2-methylsulfanylpyrimidin-4-one

6-amino-3-(2-ethoxyethyl)-2-methylsulfanylpyrimidin-4-one (PubChem CID 23525167) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 6-amino-3-(2-ethoxyethyl)-2-methylsulfanylpyrimidin-4-one.

Molecular Properties

Compound Name6-amino-3-(2-ethoxyethyl)-2-methylsulfanylpyrimidin-4-one
PubChem CID23525167
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name6-amino-3-(2-ethoxyethyl)-2-methylsulfanylpyrimidin-4-one
SMILESCCOCCn1c(SC)nc(N)cc1=O
InChIInChI=1S/C9H15N3O2S/c1-3-14-5-4-12-8(13)6-7(10)11-9(12)15-2/h6H,3-5,10H2,1-2H3
InChIKeyGFNYBTJFBGCTGQ-UHFFFAOYSA-N
XLogP0.58
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(2-ethoxyethyl)-2-methylsulfanylpyrimidin-4-one?
The IUPAC name of 6-amino-3-(2-ethoxyethyl)-2-methylsulfanylpyrimidin-4-one (CID 23525167) is 6-amino-3-(2-ethoxyethyl)-2-methylsulfanylpyrimidin-4-one.
What is the SMILES notation for 6-amino-3-(2-ethoxyethyl)-2-methylsulfanylpyrimidin-4-one?
The canonical SMILES for 6-amino-3-(2-ethoxyethyl)-2-methylsulfanylpyrimidin-4-one is CCOCCn1c(SC)nc(N)cc1=O.
What is the InChIKey of 6-amino-3-(2-ethoxyethyl)-2-methylsulfanylpyrimidin-4-one?
The InChIKey is GFNYBTJFBGCTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-3-14-5-4-12-8(13)6-7(10)11-9(12)15-2/h6H,3-5,10H2,1-2H3.
What are the key properties of 6-amino-3-(2-ethoxyethyl)-2-methylsulfanylpyrimidin-4-one?
6-amino-3-(2-ethoxyethyl)-2-methylsulfanylpyrimidin-4-one has a molecular weight of 229.30 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(2-ethoxyethyl)-2-methylsulfanylpyrimidin-4-one is sourced from PubChem (CID 23525167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).