6-amino-1-(4-ethoxyphenyl)-2-methylsulfanylpyrimidin-4-one

C13H15N3O2S — CID 59123942

IUPAC6-amino-1-(4-ethoxyphenyl)-2-methylsulfanylpyrimidin-4-one
SMILESCCOc1ccc(-n2c(N)cc(=O)nc2SC)cc1
InChIInChI=1S/C13H15N3O2S/c1-3-18-10-6-4-9(5-7-10)16-11(14)8-12(17)15-13(16)19-2/h4-8H,3,14H2,1-2H3
InChIKeyLSPPMSQPYDUBOB-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.94
Rot. Bonds4

About 6-amino-1-(4-ethoxyphenyl)-2-methylsulfanylpyrimidin-4-one

6-amino-1-(4-ethoxyphenyl)-2-methylsulfanylpyrimidin-4-one (PubChem CID 59123942) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 6-amino-1-(4-ethoxyphenyl)-2-methylsulfanylpyrimidin-4-one.

Molecular Properties

Compound Name6-amino-1-(4-ethoxyphenyl)-2-methylsulfanylpyrimidin-4-one
PubChem CID59123942
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name6-amino-1-(4-ethoxyphenyl)-2-methylsulfanylpyrimidin-4-one
SMILESCCOc1ccc(-n2c(N)cc(=O)nc2SC)cc1
InChIInChI=1S/C13H15N3O2S/c1-3-18-10-6-4-9(5-7-10)16-11(14)8-12(17)15-13(16)19-2/h4-8H,3,14H2,1-2H3
InChIKeyLSPPMSQPYDUBOB-UHFFFAOYSA-N
XLogP1.94
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(4-ethoxyphenyl)-2-methylsulfanylpyrimidin-4-one?
The IUPAC name of 6-amino-1-(4-ethoxyphenyl)-2-methylsulfanylpyrimidin-4-one (CID 59123942) is 6-amino-1-(4-ethoxyphenyl)-2-methylsulfanylpyrimidin-4-one.
What is the SMILES notation for 6-amino-1-(4-ethoxyphenyl)-2-methylsulfanylpyrimidin-4-one?
The canonical SMILES for 6-amino-1-(4-ethoxyphenyl)-2-methylsulfanylpyrimidin-4-one is CCOc1ccc(-n2c(N)cc(=O)nc2SC)cc1.
What is the InChIKey of 6-amino-1-(4-ethoxyphenyl)-2-methylsulfanylpyrimidin-4-one?
The InChIKey is LSPPMSQPYDUBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-3-18-10-6-4-9(5-7-10)16-11(14)8-12(17)15-13(16)19-2/h4-8H,3,14H2,1-2H3.
What are the key properties of 6-amino-1-(4-ethoxyphenyl)-2-methylsulfanylpyrimidin-4-one?
6-amino-1-(4-ethoxyphenyl)-2-methylsulfanylpyrimidin-4-one has a molecular weight of 277.35 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(4-ethoxyphenyl)-2-methylsulfanylpyrimidin-4-one is sourced from PubChem (CID 59123942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).