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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Related Compounds

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CID 53594257
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CID 53597198
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CID 53606453
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CID 13394199
CID 13394199
CID 21793935
CID 21793935
CID 136559616
CID 136559616
CID 13114263
CID 13114263
CID 13114267
CID 13114267
CID 129779155
CID 129779155
CID 129779227
CID 129779227
CID 134909229
CID 134909229

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).