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

C10H9BrN4O2S — CID 719069

IUPAC5-bromo-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione
SMILESCSc1nc(C)cc(-n2cc(Br)c(=O)[nH]c2=O)n1
InChIInChI=1S/C10H9BrN4O2S/c1-5-3-7(13-9(12-5)18-2)15-4-6(11)8(16)14-10(15)17/h3-4H,1-2H3,(H,14,16,17)
InChIKeyFPMPJTIJHUKBPZ-UHFFFAOYSA-N
MW329.18 g/mol
LogP1.11
Rot. Bonds2

About 5-bromo-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione

5-bromo-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione (PubChem CID 719069) has the molecular formula C10H9BrN4O2S and a molecular weight of 329.18 g/mol. Its IUPAC name is 5-bromo-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione
PubChem CID719069
Molecular FormulaC10H9BrN4O2S
Molecular Weight329.18 g/mol
Exact Mass327.96
IUPAC Name5-bromo-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione
SMILESCSc1nc(C)cc(-n2cc(Br)c(=O)[nH]c2=O)n1
InChIInChI=1S/C10H9BrN4O2S/c1-5-3-7(13-9(12-5)18-2)15-4-6(11)8(16)14-10(15)17/h3-4H,1-2H3,(H,14,16,17)
InChIKeyFPMPJTIJHUKBPZ-UHFFFAOYSA-N
XLogP1.11
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 719065
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CID 3436896
CID 8292809
CID 8292809
CID 8292924
CID 8292924
CID 8292925
CID 8292925
CID 24578445
CID 24578445
CID 24578447
CID 24578447
CID 40663372
CID 40663372
CID 40663522
CID 40663522

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione (CID 719069) is 5-bromo-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione is CSc1nc(C)cc(-n2cc(Br)c(=O)[nH]c2=O)n1.
What is the InChIKey of 5-bromo-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione?
The InChIKey is FPMPJTIJHUKBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O2S/c1-5-3-7(13-9(12-5)18-2)15-4-6(11)8(16)14-10(15)17/h3-4H,1-2H3,(H,14,16,17).
What are the key properties of 5-bromo-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione?
5-bromo-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione has a molecular weight of 329.18 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 719069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).