6-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-2-oxo-1H-pyrimidine-5-carboxylic acid

C10H10N4O4S — CID 43350633

IUPAC6-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-2-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCc1nnc(CSc2nc(=O)[nH]c(C)c2C(=O)O)o1
InChIInChI=1S/C10H10N4O4S/c1-4-7(9(15)16)8(12-10(17)11-4)19-3-6-14-13-5(2)18-6/h3H2,1-2H3,(H,15,16)(H,11,12,17)
InChIKeySLWOFHLLJKBZFN-UHFFFAOYSA-N
MW282.28 g/mol
LogP0.76
Rot. Bonds4

About 6-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-2-oxo-1H-pyrimidine-5-carboxylic acid

6-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-2-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 43350633) has the molecular formula C10H10N4O4S and a molecular weight of 282.28 g/mol. Its IUPAC name is 6-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-2-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-2-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID43350633
Molecular FormulaC10H10N4O4S
Molecular Weight282.28 g/mol
Exact Mass282.04
IUPAC Name6-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-2-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCc1nnc(CSc2nc(=O)[nH]c(C)c2C(=O)O)o1
InChIInChI=1S/C10H10N4O4S/c1-4-7(9(15)16)8(12-10(17)11-4)19-3-6-14-13-5(2)18-6/h3H2,1-2H3,(H,15,16)(H,11,12,17)
InChIKeySLWOFHLLJKBZFN-UHFFFAOYSA-N
XLogP0.76
TPSA121.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-2-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 6-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-2-oxo-1H-pyrimidine-5-carboxylic acid (CID 43350633) is 6-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-2-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 6-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-2-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 6-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-2-oxo-1H-pyrimidine-5-carboxylic acid is Cc1nnc(CSc2nc(=O)[nH]c(C)c2C(=O)O)o1.
What is the InChIKey of 6-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-2-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is SLWOFHLLJKBZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4S/c1-4-7(9(15)16)8(12-10(17)11-4)19-3-6-14-13-5(2)18-6/h3H2,1-2H3,(H,15,16)(H,11,12,17).
What are the key properties of 6-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-2-oxo-1H-pyrimidine-5-carboxylic acid?
6-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-2-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 282.28 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-2-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 43350633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).