6-methyl-5-methylsulfanyl-1H-pyrimidine-2,4-dione

C6H8N2O2S — CID 12535961

IUPAC6-methyl-5-methylsulfanyl-1H-pyrimidine-2,4-dione
SMILESCSc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H8N2O2S/c1-3-4(11-2)5(9)8-6(10)7-3/h1-2H3,(H2,7,8,9,10)
InChIKeyAEZMYFKTMFGKCD-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.09
Rot. Bonds1

About 6-methyl-5-methylsulfanyl-1H-pyrimidine-2,4-dione

6-methyl-5-methylsulfanyl-1H-pyrimidine-2,4-dione (PubChem CID 12535961) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 6-methyl-5-methylsulfanyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-5-methylsulfanyl-1H-pyrimidine-2,4-dione
PubChem CID12535961
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name6-methyl-5-methylsulfanyl-1H-pyrimidine-2,4-dione
SMILESCSc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H8N2O2S/c1-3-4(11-2)5(9)8-6(10)7-3/h1-2H3,(H2,7,8,9,10)
InChIKeyAEZMYFKTMFGKCD-UHFFFAOYSA-N
XLogP0.09
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-6-methylsulfanyl-1H-pyrimidine-2,4-dione
CID 165346496
6-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 67893557
6-methyl-2,4-dioxo-1H-pyrimidine-5-diazonium
CID 102482143
5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 137262645
5-methyl-4-methylsulfanyl-1,2-oxazol-3-one
CID 10510972
(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl) acetate
CID 14341509
N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 45071779
(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl) hydrogen sulfate
CID 2189439
N-tert-butyl-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 3320329
5-[(E)-(dimethylhydrazinylidene)methyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 135455284
(E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoic acid
CID 743193
2,3,4,5,6-pentafluoro-N-methyl-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)benzenesulfonamide
CID 167892907

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-methylsulfanyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-5-methylsulfanyl-1H-pyrimidine-2,4-dione (CID 12535961) is 6-methyl-5-methylsulfanyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-5-methylsulfanyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-5-methylsulfanyl-1H-pyrimidine-2,4-dione is CSc1c(C)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-methyl-5-methylsulfanyl-1H-pyrimidine-2,4-dione?
The InChIKey is AEZMYFKTMFGKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-3-4(11-2)5(9)8-6(10)7-3/h1-2H3,(H2,7,8,9,10).
What are the key properties of 6-methyl-5-methylsulfanyl-1H-pyrimidine-2,4-dione?
6-methyl-5-methylsulfanyl-1H-pyrimidine-2,4-dione has a molecular weight of 172.21 g/mol, XLogP of 0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-methylsulfanyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 12535961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).