1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione

C10H10N4O2S — CID 719065

IUPAC1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione
SMILESCSc1nc(C)cc(-n2ccc(=O)[nH]c2=O)n1
InChIInChI=1S/C10H10N4O2S/c1-6-5-7(12-9(11-6)17-2)14-4-3-8(15)13-10(14)16/h3-5H,1-2H3,(H,13,15,16)
InChIKeyJIPJBTDXKJPUEH-UHFFFAOYSA-N
MW250.28 g/mol
LogP0.35
Rot. Bonds2

About 1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione

1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione (PubChem CID 719065) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione
PubChem CID719065
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione
SMILESCSc1nc(C)cc(-n2ccc(=O)[nH]c2=O)n1
InChIInChI=1S/C10H10N4O2S/c1-6-5-7(12-9(11-6)17-2)14-4-3-8(15)13-10(14)16/h3-5H,1-2H3,(H,13,15,16)
InChIKeyJIPJBTDXKJPUEH-UHFFFAOYSA-N
XLogP0.35
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-6'-methyl-2'-(methylthio)-2H-[1,4'-bipyrimidine]-2,4(3H)-dione
CID 719067
(6-Methyl-2-methylsulfanyl-pyrimidin-4-yl)-urea
CID 650834
5-bromo-6'-methyl-2'-(methylthio)-2H-[1,4'-bipyrimidine]-2,4(3H)-dione
CID 719069
1-[2-Methylsulfinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-one
CID 175801427
1-[2-Methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-one
CID 175801445
1-[2-Methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-one
CID 175801485
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 40663364
1-[[4-(Ethylamino)-6-methylpyrimidin-2-yl]methyl]-5-fluoropyrimidine-2,4-dione
CID 80654751
1-[(4-Amino-6-methylpyrimidin-2-yl)methyl]-5-fluoropyrimidine-2,4-dione
CID 80654827
5-Fluoro-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrimidine-2,4-dione
CID 80654905
5-Fluoro-1-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]pyrimidine-2,4-dione
CID 80664063
5-[4-[6-(difluoromethyl)-2-methylsulfanylpyrimidin-4-yl]piperazin-1-yl]-1H-pyridin-2-one
CID 166307145

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione?
The IUPAC name of 1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione (CID 719065) is 1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione is CSc1nc(C)cc(-n2ccc(=O)[nH]c2=O)n1.
What is the InChIKey of 1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione?
The InChIKey is JIPJBTDXKJPUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-6-5-7(12-9(11-6)17-2)14-4-3-8(15)13-10(14)16/h3-5H,1-2H3,(H,13,15,16).
What are the key properties of 1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione?
1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione has a molecular weight of 250.28 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 719065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).