5-bromo-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one

C9H12BrN3O2 — CID 79077875

IUPAC5-bromo-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
SMILESCN1CCOC(c2ncc(Br)c(=O)[nH]2)C1
InChIInChI=1S/C9H12BrN3O2/c1-13-2-3-15-7(5-13)8-11-4-6(10)9(14)12-8/h4,7H,2-3,5H2,1H3,(H,11,12,14)
InChIKeyCDCGIBULVHIACB-UHFFFAOYSA-N
MW274.12 g/mol
LogP0.54
Rot. Bonds1

About 5-bromo-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one

5-bromo-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one (PubChem CID 79077875) has the molecular formula C9H12BrN3O2 and a molecular weight of 274.12 g/mol. Its IUPAC name is 5-bromo-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
PubChem CID79077875
Molecular FormulaC9H12BrN3O2
Molecular Weight274.12 g/mol
Exact Mass273.01
IUPAC Name5-bromo-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
SMILESCN1CCOC(c2ncc(Br)c(=O)[nH]2)C1
InChIInChI=1S/C9H12BrN3O2/c1-13-2-3-15-7(5-13)8-11-4-6(10)9(14)12-8/h4,7H,2-3,5H2,1H3,(H,11,12,14)
InChIKeyCDCGIBULVHIACB-UHFFFAOYSA-N
XLogP0.54
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one 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 5-bromo-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one (CID 79077875) is 5-bromo-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one is CN1CCOC(c2ncc(Br)c(=O)[nH]2)C1.
What is the InChIKey of 5-bromo-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one?
The InChIKey is CDCGIBULVHIACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O2/c1-13-2-3-15-7(5-13)8-11-4-6(10)9(14)12-8/h4,7H,2-3,5H2,1H3,(H,11,12,14).
What are the key properties of 5-bromo-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one?
5-bromo-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one has a molecular weight of 274.12 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 79077875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).