2-methoxy-4,6-dimethylimidazo[1,5-a]pyrimidine

C9H11N3O — CID 13114264

IUPAC2-methoxy-4,6-dimethylimidazo[1,5-a]pyrimidine
SMILESCOc1cc(C)n2c(C)ncc2n1
InChIInChI=1S/C9H11N3O/c1-6-4-9(13-3)11-8-5-10-7(2)12(6)8/h4-5H,1-3H3
InChIKeyIBNOFBJFEUNSRP-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.35
Rot. Bonds1

About 2-methoxy-4,6-dimethylimidazo[1,5-a]pyrimidine

2-methoxy-4,6-dimethylimidazo[1,5-a]pyrimidine (PubChem CID 13114264) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 2-methoxy-4,6-dimethylimidazo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-methoxy-4,6-dimethylimidazo[1,5-a]pyrimidine
PubChem CID13114264
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name2-methoxy-4,6-dimethylimidazo[1,5-a]pyrimidine
SMILESCOc1cc(C)n2c(C)ncc2n1
InChIInChI=1S/C9H11N3O/c1-6-4-9(13-3)11-8-5-10-7(2)12(6)8/h4-5H,1-3H3
InChIKeyIBNOFBJFEUNSRP-UHFFFAOYSA-N
XLogP1.35
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,6-dimethylimidazo[1,5-a]pyrimidine?
The IUPAC name of 2-methoxy-4,6-dimethylimidazo[1,5-a]pyrimidine (CID 13114264) is 2-methoxy-4,6-dimethylimidazo[1,5-a]pyrimidine.
What is the SMILES notation for 2-methoxy-4,6-dimethylimidazo[1,5-a]pyrimidine?
The canonical SMILES for 2-methoxy-4,6-dimethylimidazo[1,5-a]pyrimidine is COc1cc(C)n2c(C)ncc2n1.
What is the InChIKey of 2-methoxy-4,6-dimethylimidazo[1,5-a]pyrimidine?
The InChIKey is IBNOFBJFEUNSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-6-4-9(13-3)11-8-5-10-7(2)12(6)8/h4-5H,1-3H3.
What are the key properties of 2-methoxy-4,6-dimethylimidazo[1,5-a]pyrimidine?
2-methoxy-4,6-dimethylimidazo[1,5-a]pyrimidine has a molecular weight of 177.21 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,6-dimethylimidazo[1,5-a]pyrimidine is sourced from PubChem (CID 13114264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).