5-amino-2-ethylsulfanyl-4-hydroxy-1H-pyrimidin-6-one

C6H9N3O2S — CID 123370204

IUPAC5-amino-2-ethylsulfanyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCSc1nc(O)c(N)c(=O)[nH]1
InChIInChI=1S/C6H9N3O2S/c1-2-12-6-8-4(10)3(7)5(11)9-6/h2,7H2,1H3,(H2,8,9,10,11)
InChIKeyPITPSSMWNARORQ-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.17
Rot. Bonds2

About 5-amino-2-ethylsulfanyl-4-hydroxy-1H-pyrimidin-6-one

5-amino-2-ethylsulfanyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 123370204) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is 5-amino-2-ethylsulfanyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-2-ethylsulfanyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID123370204
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC Name5-amino-2-ethylsulfanyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCSc1nc(O)c(N)c(=O)[nH]1
InChIInChI=1S/C6H9N3O2S/c1-2-12-6-8-4(10)3(7)5(11)9-6/h2,7H2,1H3,(H2,8,9,10,11)
InChIKeyPITPSSMWNARORQ-UHFFFAOYSA-N
XLogP0.17
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-amino-2-ethylsulfanyl-4-hydroxy-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-amino-2-ethylsulfanyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-2-ethylsulfanyl-4-hydroxy-1H-pyrimidin-6-one (CID 123370204) is 5-amino-2-ethylsulfanyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-2-ethylsulfanyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-2-ethylsulfanyl-4-hydroxy-1H-pyrimidin-6-one is CCSc1nc(O)c(N)c(=O)[nH]1.
What is the InChIKey of 5-amino-2-ethylsulfanyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is PITPSSMWNARORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c1-2-12-6-8-4(10)3(7)5(11)9-6/h2,7H2,1H3,(H2,8,9,10,11).
What are the key properties of 5-amino-2-ethylsulfanyl-4-hydroxy-1H-pyrimidin-6-one?
5-amino-2-ethylsulfanyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 187.22 g/mol, XLogP of 0.17, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethylsulfanyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 123370204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).