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

C11H15N3O5 — CID 137015864

IUPAC4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]oxolane-3-carboxylic acid
SMILESCOc1c(N(C)C2COCC2C(=O)O)nc[nH]c1=O
InChIInChI=1S/C11H15N3O5/c1-14(7-4-19-3-6(7)11(16)17)9-8(18-2)10(15)13-5-12-9/h5-7H,3-4H2,1-2H3,(H,16,17)(H,12,13,15)
InChIKeyBIMNMKMGFVXNSV-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.69
Rot. Bonds4

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

4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]oxolane-3-carboxylic acid (PubChem CID 137015864) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]oxolane-3-carboxylic acid
PubChem CID137015864
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]oxolane-3-carboxylic acid
SMILESCOc1c(N(C)C2COCC2C(=O)O)nc[nH]c1=O
InChIInChI=1S/C11H15N3O5/c1-14(7-4-19-3-6(7)11(16)17)9-8(18-2)10(15)13-5-12-9/h5-7H,3-4H2,1-2H3,(H,16,17)(H,12,13,15)
InChIKeyBIMNMKMGFVXNSV-UHFFFAOYSA-N
XLogP-0.69
TPSA104.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
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)-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]oxolane-3-carboxylic acid (CID 137015864) is 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]oxolane-3-carboxylic acid is COc1c(N(C)C2COCC2C(=O)O)nc[nH]c1=O.
What is the InChIKey of 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]oxolane-3-carboxylic acid?
The InChIKey is BIMNMKMGFVXNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-14(7-4-19-3-6(7)11(16)17)9-8(18-2)10(15)13-5-12-9/h5-7H,3-4H2,1-2H3,(H,16,17)(H,12,13,15).
What are the key properties of 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]oxolane-3-carboxylic acid?
4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]oxolane-3-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of -0.69, 4 rotatable bonds, 2 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)-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 137015864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).