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

C11H12N4O3S — CID 43514211

IUPAC2,4-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-5-carboxylic acid
SMILESCc1nc(C)c(C(=O)O)c(SCc2nnc(C)o2)n1
InChIInChI=1S/C11H12N4O3S/c1-5-9(11(16)17)10(13-6(2)12-5)19-4-8-15-14-7(3)18-8/h4H2,1-3H3,(H,16,17)
InChIKeyZAPXQEZZQKJOKX-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.78
Rot. Bonds4

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

2,4-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-5-carboxylic acid (PubChem CID 43514211) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is 2,4-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-5-carboxylic acid
PubChem CID43514211
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Name2,4-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-5-carboxylic acid
SMILESCc1nc(C)c(C(=O)O)c(SCc2nnc(C)o2)n1
InChIInChI=1S/C11H12N4O3S/c1-5-9(11(16)17)10(13-6(2)12-5)19-4-8-15-14-7(3)18-8/h4H2,1-3H3,(H,16,17)
InChIKeyZAPXQEZZQKJOKX-UHFFFAOYSA-N
XLogP1.78
TPSA102.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 2,4-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-5-carboxylic acid (CID 43514211) is 2,4-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2,4-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2,4-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-5-carboxylic acid is Cc1nc(C)c(C(=O)O)c(SCc2nnc(C)o2)n1.
What is the InChIKey of 2,4-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-5-carboxylic acid?
The InChIKey is ZAPXQEZZQKJOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-5-9(11(16)17)10(13-6(2)12-5)19-4-8-15-14-7(3)18-8/h4H2,1-3H3,(H,16,17).
What are the key properties of 2,4-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-5-carboxylic acid?
2,4-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-5-carboxylic acid has a molecular weight of 280.31 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 43514211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).