2-pyrimidin-4-yloxane-3-carboxylic acid

C10H12N2O3 — CID 79368792

IUPAC2-pyrimidin-4-yloxane-3-carboxylic acid
SMILESO=C(O)C1CCCOC1c1ccncn1
InChIInChI=1S/C10H12N2O3/c13-10(14)7-2-1-5-15-9(7)8-3-4-11-6-12-8/h3-4,6-7,9H,1-2,5H2,(H,13,14)
InChIKeyDNQZCAAVOPXMJE-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.03
Rot. Bonds2

About 2-pyrimidin-4-yloxane-3-carboxylic acid

2-pyrimidin-4-yloxane-3-carboxylic acid (PubChem CID 79368792) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-pyrimidin-4-yloxane-3-carboxylic acid.

Molecular Properties

Compound Name2-pyrimidin-4-yloxane-3-carboxylic acid
PubChem CID79368792
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-pyrimidin-4-yloxane-3-carboxylic acid
SMILESO=C(O)C1CCCOC1c1ccncn1
InChIInChI=1S/C10H12N2O3/c13-10(14)7-2-1-5-15-9(7)8-3-4-11-6-12-8/h3-4,6-7,9H,1-2,5H2,(H,13,14)
InChIKeyDNQZCAAVOPXMJE-UHFFFAOYSA-N
XLogP1.03
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-4-yloxane-3-carboxylic acid?
The IUPAC name of 2-pyrimidin-4-yloxane-3-carboxylic acid (CID 79368792) is 2-pyrimidin-4-yloxane-3-carboxylic acid.
What is the SMILES notation for 2-pyrimidin-4-yloxane-3-carboxylic acid?
The canonical SMILES for 2-pyrimidin-4-yloxane-3-carboxylic acid is O=C(O)C1CCCOC1c1ccncn1.
What is the InChIKey of 2-pyrimidin-4-yloxane-3-carboxylic acid?
The InChIKey is DNQZCAAVOPXMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c13-10(14)7-2-1-5-15-9(7)8-3-4-11-6-12-8/h3-4,6-7,9H,1-2,5H2,(H,13,14).
What are the key properties of 2-pyrimidin-4-yloxane-3-carboxylic acid?
2-pyrimidin-4-yloxane-3-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-4-yloxane-3-carboxylic acid is sourced from PubChem (CID 79368792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).