4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid

C10H13N3O5 — CID 137015862

IUPAC4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
SMILESCOc1c(NC2COCC2C(=O)O)nc[nH]c1=O
InChIInChI=1S/C10H13N3O5/c1-17-7-8(11-4-12-9(7)14)13-6-3-18-2-5(6)10(15)16/h4-6H,2-3H2,1H3,(H,15,16)(H2,11,12,13,14)
InChIKeyIBOQGADBWZANLY-UHFFFAOYSA-N
MW255.23 g/mol
LogP-0.71
Rot. Bonds4

About 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid

4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid (PubChem CID 137015862) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
PubChem CID137015862
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
SMILESCOc1c(NC2COCC2C(=O)O)nc[nH]c1=O
InChIInChI=1S/C10H13N3O5/c1-17-7-8(11-4-12-9(7)14)13-6-3-18-2-5(6)10(15)16/h4-6H,2-3H2,1H3,(H,15,16)(H2,11,12,13,14)
InChIKeyIBOQGADBWZANLY-UHFFFAOYSA-N
XLogP-0.71
TPSA113.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid (CID 137015862) is 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid is COc1c(NC2COCC2C(=O)O)nc[nH]c1=O.
What is the InChIKey of 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The InChIKey is IBOQGADBWZANLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-17-7-8(11-4-12-9(7)14)13-6-3-18-2-5(6)10(15)16/h4-6H,2-3H2,1H3,(H,15,16)(H2,11,12,13,14).
What are the key properties of 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid has a molecular weight of 255.23 g/mol, XLogP of -0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 137015862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).