2-(5-bromopyrimidin-2-yl)morpholine-4-carboxylic acid

C9H10BrN3O3 — CID 118484405

IUPAC2-(5-bromopyrimidin-2-yl)morpholine-4-carboxylic acid
SMILESO=C(O)N1CCOC(c2ncc(Br)cn2)C1
InChIInChI=1S/C9H10BrN3O3/c10-6-3-11-8(12-4-6)7-5-13(9(14)15)1-2-16-7/h3-4,7H,1-2,5H2,(H,14,15)
InChIKeyZEFZPTWPAOZICH-UHFFFAOYSA-N
MW288.10 g/mol
LogP1.29
Rot. Bonds1

About 2-(5-bromopyrimidin-2-yl)morpholine-4-carboxylic acid

2-(5-bromopyrimidin-2-yl)morpholine-4-carboxylic acid (PubChem CID 118484405) has the molecular formula C9H10BrN3O3 and a molecular weight of 288.10 g/mol. Its IUPAC name is 2-(5-bromopyrimidin-2-yl)morpholine-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-bromopyrimidin-2-yl)morpholine-4-carboxylic acid
PubChem CID118484405
Molecular FormulaC9H10BrN3O3
Molecular Weight288.10 g/mol
Exact Mass286.99
IUPAC Name2-(5-bromopyrimidin-2-yl)morpholine-4-carboxylic acid
SMILESO=C(O)N1CCOC(c2ncc(Br)cn2)C1
InChIInChI=1S/C9H10BrN3O3/c10-6-3-11-8(12-4-6)7-5-13(9(14)15)1-2-16-7/h3-4,7H,1-2,5H2,(H,14,15)
InChIKeyZEFZPTWPAOZICH-UHFFFAOYSA-N
XLogP1.29
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.10
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromopyrimidin-2-yl)morpholine-4-carboxylic acid?
The IUPAC name of 2-(5-bromopyrimidin-2-yl)morpholine-4-carboxylic acid (CID 118484405) is 2-(5-bromopyrimidin-2-yl)morpholine-4-carboxylic acid.
What is the SMILES notation for 2-(5-bromopyrimidin-2-yl)morpholine-4-carboxylic acid?
The canonical SMILES for 2-(5-bromopyrimidin-2-yl)morpholine-4-carboxylic acid is O=C(O)N1CCOC(c2ncc(Br)cn2)C1.
What is the InChIKey of 2-(5-bromopyrimidin-2-yl)morpholine-4-carboxylic acid?
The InChIKey is ZEFZPTWPAOZICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O3/c10-6-3-11-8(12-4-6)7-5-13(9(14)15)1-2-16-7/h3-4,7H,1-2,5H2,(H,14,15).
What are the key properties of 2-(5-bromopyrimidin-2-yl)morpholine-4-carboxylic acid?
2-(5-bromopyrimidin-2-yl)morpholine-4-carboxylic acid has a molecular weight of 288.10 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromopyrimidin-2-yl)morpholine-4-carboxylic acid is sourced from PubChem (CID 118484405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).