3-bromo-7-(dimethoxymethyl)imidazo[1,2-a]pyrimidine

C9H10BrN3O2 — CID 18001285

IUPAC3-bromo-7-(dimethoxymethyl)imidazo[1,2-a]pyrimidine
SMILESCOC(OC)c1ccn2c(Br)cnc2n1
InChIInChI=1S/C9H10BrN3O2/c1-14-8(15-2)6-3-4-13-7(10)5-11-9(13)12-6/h3-5,8H,1-2H3
InChIKeyCXTZOGCNYKRQGN-UHFFFAOYSA-N
MW272.10 g/mol
LogP1.78
Rot. Bonds3

About 3-bromo-7-(dimethoxymethyl)imidazo[1,2-a]pyrimidine

3-bromo-7-(dimethoxymethyl)imidazo[1,2-a]pyrimidine (PubChem CID 18001285) has the molecular formula C9H10BrN3O2 and a molecular weight of 272.10 g/mol. Its IUPAC name is 3-bromo-7-(dimethoxymethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-7-(dimethoxymethyl)imidazo[1,2-a]pyrimidine
PubChem CID18001285
Molecular FormulaC9H10BrN3O2
Molecular Weight272.10 g/mol
Exact Mass271.00
IUPAC Name3-bromo-7-(dimethoxymethyl)imidazo[1,2-a]pyrimidine
SMILESCOC(OC)c1ccn2c(Br)cnc2n1
InChIInChI=1S/C9H10BrN3O2/c1-14-8(15-2)6-3-4-13-7(10)5-11-9(13)12-6/h3-5,8H,1-2H3
InChIKeyCXTZOGCNYKRQGN-UHFFFAOYSA-N
XLogP1.78
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-bromo-7-(dimethoxymethyl)imidazo[1,2-a]pyrimidine 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 3-bromo-7-(dimethoxymethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 3-bromo-7-(dimethoxymethyl)imidazo[1,2-a]pyrimidine (CID 18001285) is 3-bromo-7-(dimethoxymethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-bromo-7-(dimethoxymethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-bromo-7-(dimethoxymethyl)imidazo[1,2-a]pyrimidine is COC(OC)c1ccn2c(Br)cnc2n1.
What is the InChIKey of 3-bromo-7-(dimethoxymethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is CXTZOGCNYKRQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O2/c1-14-8(15-2)6-3-4-13-7(10)5-11-9(13)12-6/h3-5,8H,1-2H3.
What are the key properties of 3-bromo-7-(dimethoxymethyl)imidazo[1,2-a]pyrimidine?
3-bromo-7-(dimethoxymethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 272.10 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-(dimethoxymethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 18001285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).