4-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid

C10H13N3O4 — CID 136959170

IUPAC4-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
SMILESCN(c1cc(=O)[nH]cn1)C1COCC1C(=O)O
InChIInChI=1S/C10H13N3O4/c1-13(8-2-9(14)12-5-11-8)7-4-17-3-6(7)10(15)16/h2,5-7H,3-4H2,1H3,(H,15,16)(H,11,12,14)
InChIKeyKMUPQYWINHWQJJ-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.69
Rot. Bonds3

About 4-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid

4-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid (PubChem CID 136959170) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 4-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
PubChem CID136959170
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name4-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
SMILESCN(c1cc(=O)[nH]cn1)C1COCC1C(=O)O
InChIInChI=1S/C10H13N3O4/c1-13(8-2-9(14)12-5-11-8)7-4-17-3-6(7)10(15)16/h2,5-7H,3-4H2,1H3,(H,15,16)(H,11,12,14)
InChIKeyKMUPQYWINHWQJJ-UHFFFAOYSA-N
XLogP-0.69
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid (CID 136959170) is 4-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid is CN(c1cc(=O)[nH]cn1)C1COCC1C(=O)O.
What is the InChIKey of 4-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The InChIKey is KMUPQYWINHWQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-13(8-2-9(14)12-5-11-8)7-4-17-3-6(7)10(15)16/h2,5-7H,3-4H2,1H3,(H,15,16)(H,11,12,14).
What are the key properties of 4-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
4-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of -0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 136959170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).