2-(5-bromo-4-chloro-6-cyclopropylpyrimidin-2-yl)-4-methylmorpholine

C12H15BrClN3O — CID 79076880

IUPAC2-(5-bromo-4-chloro-6-cyclopropylpyrimidin-2-yl)-4-methylmorpholine
SMILESCN1CCOC(c2nc(Cl)c(Br)c(C3CC3)n2)C1
InChIInChI=1S/C12H15BrClN3O/c1-17-4-5-18-8(6-17)12-15-10(7-2-3-7)9(13)11(14)16-12/h7-8H,2-6H2,1H3
InChIKeyLKKYQCGHHCBDDB-UHFFFAOYSA-N
MW332.63 g/mol
LogP2.77
Rot. Bonds2

About 2-(5-bromo-4-chloro-6-cyclopropylpyrimidin-2-yl)-4-methylmorpholine

2-(5-bromo-4-chloro-6-cyclopropylpyrimidin-2-yl)-4-methylmorpholine (PubChem CID 79076880) has the molecular formula C12H15BrClN3O and a molecular weight of 332.63 g/mol. Its IUPAC name is 2-(5-bromo-4-chloro-6-cyclopropylpyrimidin-2-yl)-4-methylmorpholine.

Molecular Properties

Compound Name2-(5-bromo-4-chloro-6-cyclopropylpyrimidin-2-yl)-4-methylmorpholine
PubChem CID79076880
Molecular FormulaC12H15BrClN3O
Molecular Weight332.63 g/mol
Exact Mass331.01
IUPAC Name2-(5-bromo-4-chloro-6-cyclopropylpyrimidin-2-yl)-4-methylmorpholine
SMILESCN1CCOC(c2nc(Cl)c(Br)c(C3CC3)n2)C1
InChIInChI=1S/C12H15BrClN3O/c1-17-4-5-18-8(6-17)12-15-10(7-2-3-7)9(13)11(14)16-12/h7-8H,2-6H2,1H3
InChIKeyLKKYQCGHHCBDDB-UHFFFAOYSA-N
XLogP2.77
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.63
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(5-bromo-4-chloro-6-cyclopropylpyrimidin-2-yl)-4-methylmorpholine 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-(5-bromo-4-chloro-6-cyclopropylpyrimidin-2-yl)-4-methylmorpholine?
The IUPAC name of 2-(5-bromo-4-chloro-6-cyclopropylpyrimidin-2-yl)-4-methylmorpholine (CID 79076880) is 2-(5-bromo-4-chloro-6-cyclopropylpyrimidin-2-yl)-4-methylmorpholine.
What is the SMILES notation for 2-(5-bromo-4-chloro-6-cyclopropylpyrimidin-2-yl)-4-methylmorpholine?
The canonical SMILES for 2-(5-bromo-4-chloro-6-cyclopropylpyrimidin-2-yl)-4-methylmorpholine is CN1CCOC(c2nc(Cl)c(Br)c(C3CC3)n2)C1.
What is the InChIKey of 2-(5-bromo-4-chloro-6-cyclopropylpyrimidin-2-yl)-4-methylmorpholine?
The InChIKey is LKKYQCGHHCBDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClN3O/c1-17-4-5-18-8(6-17)12-15-10(7-2-3-7)9(13)11(14)16-12/h7-8H,2-6H2,1H3.
What are the key properties of 2-(5-bromo-4-chloro-6-cyclopropylpyrimidin-2-yl)-4-methylmorpholine?
2-(5-bromo-4-chloro-6-cyclopropylpyrimidin-2-yl)-4-methylmorpholine has a molecular weight of 332.63 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-chloro-6-cyclopropylpyrimidin-2-yl)-4-methylmorpholine is sourced from PubChem (CID 79076880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).