3-[(2-methylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid

C10H13N3O3 — CID 64889068

IUPAC3-[(2-methylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid
SMILESCc1nccc(NC2(C(=O)O)CCOC2)n1
InChIInChI=1S/C10H13N3O3/c1-7-11-4-2-8(12-7)13-10(9(14)15)3-5-16-6-10/h2,4H,3,5-6H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyFWTZRZMUDQYXST-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.44
Rot. Bonds3

About 3-[(2-methylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid

3-[(2-methylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid (PubChem CID 64889068) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-[(2-methylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid
PubChem CID64889068
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name3-[(2-methylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid
SMILESCc1nccc(NC2(C(=O)O)CCOC2)n1
InChIInChI=1S/C10H13N3O3/c1-7-11-4-2-8(12-7)13-10(9(14)15)3-5-16-6-10/h2,4H,3,5-6H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyFWTZRZMUDQYXST-UHFFFAOYSA-N
XLogP0.44
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(2-methylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid (CID 64889068) is 3-[(2-methylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(2-methylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(2-methylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid is Cc1nccc(NC2(C(=O)O)CCOC2)n1.
What is the InChIKey of 3-[(2-methylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The InChIKey is FWTZRZMUDQYXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-7-11-4-2-8(12-7)13-10(9(14)15)3-5-16-6-10/h2,4H,3,5-6H2,1H3,(H,14,15)(H,11,12,13).
What are the key properties of 3-[(2-methylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
3-[(2-methylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64889068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).