4-hydroxy-2-methylsulfanyl-5-nitroso-1H-pyrimidin-6-one

C5H5N3O3S — CID 137202421

IUPAC4-hydroxy-2-methylsulfanyl-5-nitroso-1H-pyrimidin-6-one
SMILESCSc1nc(O)c(N=O)c(=O)[nH]1
InChIInChI=1S/C5H5N3O3S/c1-12-5-6-3(9)2(8-11)4(10)7-5/h1H3,(H2,6,7,9,10)
InChIKeyZRLISVODVTVGIF-UHFFFAOYSA-N
MW187.18 g/mol
LogP0.60
Rot. Bonds2

About 4-hydroxy-2-methylsulfanyl-5-nitroso-1H-pyrimidin-6-one

4-hydroxy-2-methylsulfanyl-5-nitroso-1H-pyrimidin-6-one (PubChem CID 137202421) has the molecular formula C5H5N3O3S and a molecular weight of 187.18 g/mol. Its IUPAC name is 4-hydroxy-2-methylsulfanyl-5-nitroso-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-methylsulfanyl-5-nitroso-1H-pyrimidin-6-one
PubChem CID137202421
Molecular FormulaC5H5N3O3S
Molecular Weight187.18 g/mol
Exact Mass187.01
IUPAC Name4-hydroxy-2-methylsulfanyl-5-nitroso-1H-pyrimidin-6-one
SMILESCSc1nc(O)c(N=O)c(=O)[nH]1
InChIInChI=1S/C5H5N3O3S/c1-12-5-6-3(9)2(8-11)4(10)7-5/h1H3,(H2,6,7,9,10)
InChIKeyZRLISVODVTVGIF-UHFFFAOYSA-N
XLogP0.60
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.18
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-hydroxy-2-methylsulfanyl-5-nitroso-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 4-hydroxy-2-methylsulfanyl-5-nitroso-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-methylsulfanyl-5-nitroso-1H-pyrimidin-6-one (CID 137202421) is 4-hydroxy-2-methylsulfanyl-5-nitroso-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-methylsulfanyl-5-nitroso-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-methylsulfanyl-5-nitroso-1H-pyrimidin-6-one is CSc1nc(O)c(N=O)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2-methylsulfanyl-5-nitroso-1H-pyrimidin-6-one?
The InChIKey is ZRLISVODVTVGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O3S/c1-12-5-6-3(9)2(8-11)4(10)7-5/h1H3,(H2,6,7,9,10).
What are the key properties of 4-hydroxy-2-methylsulfanyl-5-nitroso-1H-pyrimidin-6-one?
4-hydroxy-2-methylsulfanyl-5-nitroso-1H-pyrimidin-6-one has a molecular weight of 187.18 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methylsulfanyl-5-nitroso-1H-pyrimidin-6-one is sourced from PubChem (CID 137202421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).