2,4-dimethyl-6-(1,2-oxazol-4-ylmethylsulfanyl)pyrimidine-5-carboxylic acid

C11H11N3O3S — CID 60870178

IUPAC2,4-dimethyl-6-(1,2-oxazol-4-ylmethylsulfanyl)pyrimidine-5-carboxylic acid
SMILESCc1nc(C)c(C(=O)O)c(SCc2cnoc2)n1
InChIInChI=1S/C11H11N3O3S/c1-6-9(11(15)16)10(14-7(2)13-6)18-5-8-3-12-17-4-8/h3-4H,5H2,1-2H3,(H,15,16)
InChIKeyDBYPEAWVISUQFT-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.07
Rot. Bonds4

About 2,4-dimethyl-6-(1,2-oxazol-4-ylmethylsulfanyl)pyrimidine-5-carboxylic acid

2,4-dimethyl-6-(1,2-oxazol-4-ylmethylsulfanyl)pyrimidine-5-carboxylic acid (PubChem CID 60870178) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 2,4-dimethyl-6-(1,2-oxazol-4-ylmethylsulfanyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethyl-6-(1,2-oxazol-4-ylmethylsulfanyl)pyrimidine-5-carboxylic acid
PubChem CID60870178
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name2,4-dimethyl-6-(1,2-oxazol-4-ylmethylsulfanyl)pyrimidine-5-carboxylic acid
SMILESCc1nc(C)c(C(=O)O)c(SCc2cnoc2)n1
InChIInChI=1S/C11H11N3O3S/c1-6-9(11(15)16)10(14-7(2)13-6)18-5-8-3-12-17-4-8/h3-4H,5H2,1-2H3,(H,15,16)
InChIKeyDBYPEAWVISUQFT-UHFFFAOYSA-N
XLogP2.07
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(1,2-oxazol-4-ylmethylsulfanyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2,4-dimethyl-6-(1,2-oxazol-4-ylmethylsulfanyl)pyrimidine-5-carboxylic acid (CID 60870178) is 2,4-dimethyl-6-(1,2-oxazol-4-ylmethylsulfanyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2,4-dimethyl-6-(1,2-oxazol-4-ylmethylsulfanyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2,4-dimethyl-6-(1,2-oxazol-4-ylmethylsulfanyl)pyrimidine-5-carboxylic acid is Cc1nc(C)c(C(=O)O)c(SCc2cnoc2)n1.
What is the InChIKey of 2,4-dimethyl-6-(1,2-oxazol-4-ylmethylsulfanyl)pyrimidine-5-carboxylic acid?
The InChIKey is DBYPEAWVISUQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c1-6-9(11(15)16)10(14-7(2)13-6)18-5-8-3-12-17-4-8/h3-4H,5H2,1-2H3,(H,15,16).
What are the key properties of 2,4-dimethyl-6-(1,2-oxazol-4-ylmethylsulfanyl)pyrimidine-5-carboxylic acid?
2,4-dimethyl-6-(1,2-oxazol-4-ylmethylsulfanyl)pyrimidine-5-carboxylic acid has a molecular weight of 265.29 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(1,2-oxazol-4-ylmethylsulfanyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 60870178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).