4-hydroxy-2-methylsulfanyl-5-thiophen-3-yl-1H-pyrimidin-6-one

C9H8N2O2S2 — CID 69343542

IUPAC4-hydroxy-2-methylsulfanyl-5-thiophen-3-yl-1H-pyrimidin-6-one
SMILESCSc1nc(O)c(-c2ccsc2)c(=O)[nH]1
InChIInChI=1S/C9H8N2O2S2/c1-14-9-10-7(12)6(8(13)11-9)5-2-3-15-4-5/h2-4H,1H3,(H2,10,11,12,13)
InChIKeyPFNMVNVCIBHYEG-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.93
Rot. Bonds2

About 4-hydroxy-2-methylsulfanyl-5-thiophen-3-yl-1H-pyrimidin-6-one

4-hydroxy-2-methylsulfanyl-5-thiophen-3-yl-1H-pyrimidin-6-one (PubChem CID 69343542) has the molecular formula C9H8N2O2S2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-hydroxy-2-methylsulfanyl-5-thiophen-3-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-methylsulfanyl-5-thiophen-3-yl-1H-pyrimidin-6-one
PubChem CID69343542
Molecular FormulaC9H8N2O2S2
Molecular Weight240.31 g/mol
Exact Mass240.00
IUPAC Name4-hydroxy-2-methylsulfanyl-5-thiophen-3-yl-1H-pyrimidin-6-one
SMILESCSc1nc(O)c(-c2ccsc2)c(=O)[nH]1
InChIInChI=1S/C9H8N2O2S2/c1-14-9-10-7(12)6(8(13)11-9)5-2-3-15-4-5/h2-4H,1H3,(H2,10,11,12,13)
InChIKeyPFNMVNVCIBHYEG-UHFFFAOYSA-N
XLogP1.93
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methylsulfanyl-5-thiophen-3-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-methylsulfanyl-5-thiophen-3-yl-1H-pyrimidin-6-one (CID 69343542) is 4-hydroxy-2-methylsulfanyl-5-thiophen-3-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-methylsulfanyl-5-thiophen-3-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-methylsulfanyl-5-thiophen-3-yl-1H-pyrimidin-6-one is CSc1nc(O)c(-c2ccsc2)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2-methylsulfanyl-5-thiophen-3-yl-1H-pyrimidin-6-one?
The InChIKey is PFNMVNVCIBHYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S2/c1-14-9-10-7(12)6(8(13)11-9)5-2-3-15-4-5/h2-4H,1H3,(H2,10,11,12,13).
What are the key properties of 4-hydroxy-2-methylsulfanyl-5-thiophen-3-yl-1H-pyrimidin-6-one?
4-hydroxy-2-methylsulfanyl-5-thiophen-3-yl-1H-pyrimidin-6-one has a molecular weight of 240.31 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methylsulfanyl-5-thiophen-3-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 69343542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).