2-bromo-4-pyrimidin-2-ylmorpholine

C8H10BrN3O — CID 174677282

IUPAC2-bromo-4-pyrimidin-2-ylmorpholine
SMILESBrC1CN(c2ncccn2)CCO1
InChIInChI=1S/C8H10BrN3O/c9-7-6-12(4-5-13-7)8-10-2-1-3-11-8/h1-3,7H,4-6H2
InChIKeyDKFRRGZEWVJNKE-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.03
Rot. Bonds1

About 2-bromo-4-pyrimidin-2-ylmorpholine

2-bromo-4-pyrimidin-2-ylmorpholine (PubChem CID 174677282) has the molecular formula C8H10BrN3O and a molecular weight of 244.09 g/mol. Its IUPAC name is 2-bromo-4-pyrimidin-2-ylmorpholine.

Molecular Properties

Compound Name2-bromo-4-pyrimidin-2-ylmorpholine
PubChem CID174677282
Molecular FormulaC8H10BrN3O
Molecular Weight244.09 g/mol
Exact Mass243.00
IUPAC Name2-bromo-4-pyrimidin-2-ylmorpholine
SMILESBrC1CN(c2ncccn2)CCO1
InChIInChI=1S/C8H10BrN3O/c9-7-6-12(4-5-13-7)8-10-2-1-3-11-8/h1-3,7H,4-6H2
InChIKeyDKFRRGZEWVJNKE-UHFFFAOYSA-N
XLogP1.03
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-bromo-4-pyrimidin-2-ylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-pyrimidin-2-ylmorpholine?
The IUPAC name of 2-bromo-4-pyrimidin-2-ylmorpholine (CID 174677282) is 2-bromo-4-pyrimidin-2-ylmorpholine.
What is the SMILES notation for 2-bromo-4-pyrimidin-2-ylmorpholine?
The canonical SMILES for 2-bromo-4-pyrimidin-2-ylmorpholine is BrC1CN(c2ncccn2)CCO1.
What is the InChIKey of 2-bromo-4-pyrimidin-2-ylmorpholine?
The InChIKey is DKFRRGZEWVJNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O/c9-7-6-12(4-5-13-7)8-10-2-1-3-11-8/h1-3,7H,4-6H2.
What are the key properties of 2-bromo-4-pyrimidin-2-ylmorpholine?
2-bromo-4-pyrimidin-2-ylmorpholine has a molecular weight of 244.09 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-pyrimidin-2-ylmorpholine is sourced from PubChem (CID 174677282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).