4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid

C12H15N3O4 — CID 136959167

IUPAC4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
SMILESO=C(O)C1COCC1Nc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C12H15N3O4/c16-10-3-9(14-11(15-10)6-1-2-6)13-8-5-19-4-7(8)12(17)18/h3,6-8H,1-2,4-5H2,(H,17,18)(H2,13,14,15,16)
InChIKeyABABXAAQGCQWKK-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.16
Rot. Bonds4

About 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid

4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid (PubChem CID 136959167) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
PubChem CID136959167
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
SMILESO=C(O)C1COCC1Nc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C12H15N3O4/c16-10-3-9(14-11(15-10)6-1-2-6)13-8-5-19-4-7(8)12(17)18/h3,6-8H,1-2,4-5H2,(H,17,18)(H2,13,14,15,16)
InChIKeyABABXAAQGCQWKK-UHFFFAOYSA-N
XLogP0.16
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid (CID 136959167) is 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid is O=C(O)C1COCC1Nc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The InChIKey is ABABXAAQGCQWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c16-10-3-9(14-11(15-10)6-1-2-6)13-8-5-19-4-7(8)12(17)18/h3,6-8H,1-2,4-5H2,(H,17,18)(H2,13,14,15,16).
What are the key properties of 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of 0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 136959167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).