4-[(2,6-dimethylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid

C11H15N3O3 — CID 66240895

IUPAC4-[(2,6-dimethylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid
SMILESCc1cc(NC2COCC2C(=O)O)nc(C)n1
InChIInChI=1S/C11H15N3O3/c1-6-3-10(13-7(2)12-6)14-9-5-17-4-8(9)11(15)16/h3,8-9H,4-5H2,1-2H3,(H,15,16)(H,12,13,14)
InChIKeySZSMYCIFLRRSAL-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.60
Rot. Bonds3

About 4-[(2,6-dimethylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid

4-[(2,6-dimethylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid (PubChem CID 66240895) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-[(2,6-dimethylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2,6-dimethylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid
PubChem CID66240895
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name4-[(2,6-dimethylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid
SMILESCc1cc(NC2COCC2C(=O)O)nc(C)n1
InChIInChI=1S/C11H15N3O3/c1-6-3-10(13-7(2)12-6)14-9-5-17-4-8(9)11(15)16/h3,8-9H,4-5H2,1-2H3,(H,15,16)(H,12,13,14)
InChIKeySZSMYCIFLRRSAL-UHFFFAOYSA-N
XLogP0.60
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(2,6-dimethylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid (CID 66240895) is 4-[(2,6-dimethylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2,6-dimethylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2,6-dimethylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid is Cc1cc(NC2COCC2C(=O)O)nc(C)n1.
What is the InChIKey of 4-[(2,6-dimethylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The InChIKey is SZSMYCIFLRRSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-6-3-10(13-7(2)12-6)14-9-5-17-4-8(9)11(15)16/h3,8-9H,4-5H2,1-2H3,(H,15,16)(H,12,13,14).
What are the key properties of 4-[(2,6-dimethylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
4-[(2,6-dimethylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66240895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).