5-(dimethoxymethyl)imidazo[1,2-a]pyrimidine

C9H11N3O2 — CID 18001304

IUPAC5-(dimethoxymethyl)imidazo[1,2-a]pyrimidine
SMILESCOC(OC)c1ccnc2nccn12
InChIInChI=1S/C9H11N3O2/c1-13-8(14-2)7-3-4-10-9-11-5-6-12(7)9/h3-6,8H,1-2H3
InChIKeyWHENDOXPZXJLAP-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.02
Rot. Bonds3

About 5-(dimethoxymethyl)imidazo[1,2-a]pyrimidine

5-(dimethoxymethyl)imidazo[1,2-a]pyrimidine (PubChem CID 18001304) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 5-(dimethoxymethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name5-(dimethoxymethyl)imidazo[1,2-a]pyrimidine
PubChem CID18001304
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name5-(dimethoxymethyl)imidazo[1,2-a]pyrimidine
SMILESCOC(OC)c1ccnc2nccn12
InChIInChI=1S/C9H11N3O2/c1-13-8(14-2)7-3-4-10-9-11-5-6-12(7)9/h3-6,8H,1-2H3
InChIKeyWHENDOXPZXJLAP-UHFFFAOYSA-N
XLogP1.02
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethoxymethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 5-(dimethoxymethyl)imidazo[1,2-a]pyrimidine (CID 18001304) is 5-(dimethoxymethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 5-(dimethoxymethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 5-(dimethoxymethyl)imidazo[1,2-a]pyrimidine is COC(OC)c1ccnc2nccn12.
What is the InChIKey of 5-(dimethoxymethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is WHENDOXPZXJLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-13-8(14-2)7-3-4-10-9-11-5-6-12(7)9/h3-6,8H,1-2H3.
What are the key properties of 5-(dimethoxymethyl)imidazo[1,2-a]pyrimidine?
5-(dimethoxymethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 193.21 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethoxymethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 18001304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).