2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-6-ol;hydroiodide

C5H11IN2OS — CID 13404114

IUPAC2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-6-ol;hydroiodide
SMILESCSC1=NCCC(O)N1.I
InChIInChI=1S/C5H10N2OS.HI/c1-9-5-6-3-2-4(8)7-5;/h4,8H,2-3H2,1H3,(H,6,7);1H
InChIKeyYCWTXKYEDOXYJI-UHFFFAOYSA-N
MW274.13 g/mol
LogP0.64
Rot. Bonds

About 2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-6-ol;hydroiodide

2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-6-ol;hydroiodide (PubChem CID 13404114) has the molecular formula C5H11IN2OS and a molecular weight of 274.13 g/mol. Its IUPAC name is 2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-6-ol;hydroiodide.

Molecular Properties

Compound Name2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-6-ol;hydroiodide
PubChem CID13404114
Molecular FormulaC5H11IN2OS
Molecular Weight274.13 g/mol
Exact Mass273.96
IUPAC Name2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-6-ol;hydroiodide
SMILESCSC1=NCCC(O)N1.I
InChIInChI=1S/C5H10N2OS.HI/c1-9-5-6-3-2-4(8)7-5;/h4,8H,2-3H2,1H3,(H,6,7);1H
InChIKeyYCWTXKYEDOXYJI-UHFFFAOYSA-N
XLogP0.64
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-6-ol;hydroiodide?
The IUPAC name of 2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-6-ol;hydroiodide (CID 13404114) is 2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-6-ol;hydroiodide.
What is the SMILES notation for 2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-6-ol;hydroiodide?
The canonical SMILES for 2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-6-ol;hydroiodide is CSC1=NCCC(O)N1.I.
What is the InChIKey of 2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-6-ol;hydroiodide?
The InChIKey is YCWTXKYEDOXYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2OS.HI/c1-9-5-6-3-2-4(8)7-5;/h4,8H,2-3H2,1H3,(H,6,7);1H.
What are the key properties of 2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-6-ol;hydroiodide?
2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-6-ol;hydroiodide has a molecular weight of 274.13 g/mol, XLogP of 0.64, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-6-ol;hydroiodide is sourced from PubChem (CID 13404114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).