6-amino-1-methyl-5-(4-methylphenyl)sulfanylpyrimidine-2,4-dione

C12H13N3O2S — CID 8003071

IUPAC6-amino-1-methyl-5-(4-methylphenyl)sulfanylpyrimidine-2,4-dione
SMILESCc1ccc(Sc2c(N)n(C)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C12H13N3O2S/c1-7-3-5-8(6-4-7)18-9-10(13)15(2)12(17)14-11(9)16/h3-6H,13H2,1-2H3,(H,14,16,17)
InChIKeyOUYMAOFPVACDNA-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.12
Rot. Bonds2

About 6-amino-1-methyl-5-(4-methylphenyl)sulfanylpyrimidine-2,4-dione

6-amino-1-methyl-5-(4-methylphenyl)sulfanylpyrimidine-2,4-dione (PubChem CID 8003071) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 6-amino-1-methyl-5-(4-methylphenyl)sulfanylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-methyl-5-(4-methylphenyl)sulfanylpyrimidine-2,4-dione
PubChem CID8003071
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name6-amino-1-methyl-5-(4-methylphenyl)sulfanylpyrimidine-2,4-dione
SMILESCc1ccc(Sc2c(N)n(C)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C12H13N3O2S/c1-7-3-5-8(6-4-7)18-9-10(13)15(2)12(17)14-11(9)16/h3-6H,13H2,1-2H3,(H,14,16,17)
InChIKeyOUYMAOFPVACDNA-UHFFFAOYSA-N
XLogP1.12
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-methyl-5-(4-methylphenyl)sulfanylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-methyl-5-(4-methylphenyl)sulfanylpyrimidine-2,4-dione (CID 8003071) is 6-amino-1-methyl-5-(4-methylphenyl)sulfanylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-methyl-5-(4-methylphenyl)sulfanylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-methyl-5-(4-methylphenyl)sulfanylpyrimidine-2,4-dione is Cc1ccc(Sc2c(N)n(C)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 6-amino-1-methyl-5-(4-methylphenyl)sulfanylpyrimidine-2,4-dione?
The InChIKey is OUYMAOFPVACDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-7-3-5-8(6-4-7)18-9-10(13)15(2)12(17)14-11(9)16/h3-6H,13H2,1-2H3,(H,14,16,17).
What are the key properties of 6-amino-1-methyl-5-(4-methylphenyl)sulfanylpyrimidine-2,4-dione?
6-amino-1-methyl-5-(4-methylphenyl)sulfanylpyrimidine-2,4-dione has a molecular weight of 263.32 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methyl-5-(4-methylphenyl)sulfanylpyrimidine-2,4-dione is sourced from PubChem (CID 8003071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).