3-(4,6-dimethylpyrimidin-2-yl)oxyazetidine-1-carboxylic acid

C10H13N3O3 — CID 67143904

IUPAC3-(4,6-dimethylpyrimidin-2-yl)oxyazetidine-1-carboxylic acid
SMILESCc1cc(C)nc(OC2CN(C(=O)O)C2)n1
InChIInChI=1S/C10H13N3O3/c1-6-3-7(2)12-9(11-6)16-8-4-13(5-8)10(14)15/h3,8H,4-5H2,1-2H3,(H,14,15)
InChIKeyWYVWSDQTEZXTAQ-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.83
Rot. Bonds2

About 3-(4,6-dimethylpyrimidin-2-yl)oxyazetidine-1-carboxylic acid

3-(4,6-dimethylpyrimidin-2-yl)oxyazetidine-1-carboxylic acid (PubChem CID 67143904) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-(4,6-dimethylpyrimidin-2-yl)oxyazetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(4,6-dimethylpyrimidin-2-yl)oxyazetidine-1-carboxylic acid
PubChem CID67143904
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name3-(4,6-dimethylpyrimidin-2-yl)oxyazetidine-1-carboxylic acid
SMILESCc1cc(C)nc(OC2CN(C(=O)O)C2)n1
InChIInChI=1S/C10H13N3O3/c1-6-3-7(2)12-9(11-6)16-8-4-13(5-8)10(14)15/h3,8H,4-5H2,1-2H3,(H,14,15)
InChIKeyWYVWSDQTEZXTAQ-UHFFFAOYSA-N
XLogP0.83
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)oxyazetidine-1-carboxylic acid?
The IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)oxyazetidine-1-carboxylic acid (CID 67143904) is 3-(4,6-dimethylpyrimidin-2-yl)oxyazetidine-1-carboxylic acid.
What is the SMILES notation for 3-(4,6-dimethylpyrimidin-2-yl)oxyazetidine-1-carboxylic acid?
The canonical SMILES for 3-(4,6-dimethylpyrimidin-2-yl)oxyazetidine-1-carboxylic acid is Cc1cc(C)nc(OC2CN(C(=O)O)C2)n1.
What is the InChIKey of 3-(4,6-dimethylpyrimidin-2-yl)oxyazetidine-1-carboxylic acid?
The InChIKey is WYVWSDQTEZXTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-6-3-7(2)12-9(11-6)16-8-4-13(5-8)10(14)15/h3,8H,4-5H2,1-2H3,(H,14,15).
What are the key properties of 3-(4,6-dimethylpyrimidin-2-yl)oxyazetidine-1-carboxylic acid?
3-(4,6-dimethylpyrimidin-2-yl)oxyazetidine-1-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethylpyrimidin-2-yl)oxyazetidine-1-carboxylic acid is sourced from PubChem (CID 67143904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).