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

C13H17N3O4 — CID 136959425

IUPAC4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid
SMILESO=C(O)C1(Nc2cc(=O)[nH]c(C3CC3)n2)CCOCC1
InChIInChI=1S/C13H17N3O4/c17-10-7-9(14-11(15-10)8-1-2-8)16-13(12(18)19)3-5-20-6-4-13/h7-8H,1-6H2,(H,18,19)(H2,14,15,16,17)
InChIKeyFJUVBTRIXLIYJP-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.69
Rot. Bonds4

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

4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid (PubChem CID 136959425) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid
PubChem CID136959425
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid
SMILESO=C(O)C1(Nc2cc(=O)[nH]c(C3CC3)n2)CCOCC1
InChIInChI=1S/C13H17N3O4/c17-10-7-9(14-11(15-10)8-1-2-8)16-13(12(18)19)3-5-20-6-4-13/h7-8H,1-6H2,(H,18,19)(H2,14,15,16,17)
InChIKeyFJUVBTRIXLIYJP-UHFFFAOYSA-N
XLogP0.69
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.69
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]oxane-4-carboxylic acid?
The IUPAC name of 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid (CID 136959425) is 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid is O=C(O)C1(Nc2cc(=O)[nH]c(C3CC3)n2)CCOCC1.
What is the InChIKey of 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid?
The InChIKey is FJUVBTRIXLIYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c17-10-7-9(14-11(15-10)8-1-2-8)16-13(12(18)19)3-5-20-6-4-13/h7-8H,1-6H2,(H,18,19)(H2,14,15,16,17).
What are the key properties of 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid?
4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 0.69, 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]oxane-4-carboxylic acid is sourced from PubChem (CID 136959425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).