5-iodo-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one

C6H7IN2OS — CID 135481527

IUPAC5-iodo-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one
SMILESCSc1nc(C)c(I)c(=O)[nH]1
InChIInChI=1S/C6H7IN2OS/c1-3-4(7)5(10)9-6(8-3)11-2/h1-2H3,(H,8,9,10)
InChIKeyZJXNKOCFKZYAGQ-UHFFFAOYSA-N
MW282.11 g/mol
LogP1.40
Rot. Bonds1

About 5-iodo-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one

5-iodo-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one (PubChem CID 135481527) has the molecular formula C6H7IN2OS and a molecular weight of 282.11 g/mol. Its IUPAC name is 5-iodo-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one
PubChem CID135481527
Molecular FormulaC6H7IN2OS
Molecular Weight282.11 g/mol
Exact Mass281.93
IUPAC Name5-iodo-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one
SMILESCSc1nc(C)c(I)c(=O)[nH]1
InChIInChI=1S/C6H7IN2OS/c1-3-4(7)5(10)9-6(8-3)11-2/h1-2H3,(H,8,9,10)
InChIKeyZJXNKOCFKZYAGQ-UHFFFAOYSA-N
XLogP1.40
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.11
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,6-Dimethyl-2-(methylsulfanyl)pyrimidin-4(1h)-one
CID 135494970
2-(Butylsulfanyl)-5-iodo-6-methyl-4-pyrimidinol
CID 135446742
5-Iodo-6-methyl-2-(propylsulfanyl)pyrimidin-4-ol
CID 135500428
5-Iodo-2-methylthio-6-trifluoromethyl-3H-pyrimidin-4-one
CID 135804110
4-(fluoromethyl)-5-iodo-2-methylsulfanyl-1H-pyrimidin-6-one
CID 136038138
2-ethylsulfanyl-5-iodo-4-methyl-1H-pyrimidin-6-one
CID 135514315
5-Bromo-6-methyl-2-(methylthio)pyrimidin-4(3H)-one
CID 135431957
5-fluoro-4-(fluoromethyl)-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135420617
5-Fluoro-6-methyl-2-(methylthio)pyrimidin-4-ol
CID 135741925
6-(Difluoromethyl)-5-fluoro-2-(methylthio)pyrimidin-4-ol
CID 165368612
5-Chloro-6-methyl-2-(methylsulfanyl)pyrimidin-4(1h)-one
CID 135538378
5-Amino-6-methyl-2-(methylthio)-4(3H)-pyrimidinone
CID 135703379

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one (CID 135481527) is 5-iodo-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one is CSc1nc(C)c(I)c(=O)[nH]1.
What is the InChIKey of 5-iodo-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one?
The InChIKey is ZJXNKOCFKZYAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7IN2OS/c1-3-4(7)5(10)9-6(8-3)11-2/h1-2H3,(H,8,9,10).
What are the key properties of 5-iodo-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one?
5-iodo-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one has a molecular weight of 282.11 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135481527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).