(2,4-dimethylimidazo[1,5-a]pyrimidin-8-yl)methanol

C9H11N3O — CID 121328441

IUPAC(2,4-dimethylimidazo[1,5-a]pyrimidin-8-yl)methanol
SMILESCc1cc(C)n2cnc(CO)c2n1
InChIInChI=1S/C9H11N3O/c1-6-3-7(2)12-5-10-8(4-13)9(12)11-6/h3,5,13H,4H2,1-2H3
InChIKeyLAAMGUDUIRTFNY-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.84
Rot. Bonds1

About (2,4-dimethylimidazo[1,5-a]pyrimidin-8-yl)methanol

(2,4-dimethylimidazo[1,5-a]pyrimidin-8-yl)methanol (PubChem CID 121328441) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is (2,4-dimethylimidazo[1,5-a]pyrimidin-8-yl)methanol.

Molecular Properties

Compound Name(2,4-dimethylimidazo[1,5-a]pyrimidin-8-yl)methanol
PubChem CID121328441
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name(2,4-dimethylimidazo[1,5-a]pyrimidin-8-yl)methanol
SMILESCc1cc(C)n2cnc(CO)c2n1
InChIInChI=1S/C9H11N3O/c1-6-3-7(2)12-5-10-8(4-13)9(12)11-6/h3,5,13H,4H2,1-2H3
InChIKeyLAAMGUDUIRTFNY-UHFFFAOYSA-N
XLogP0.84
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylimidazo[1,5-a]pyrimidin-8-yl)methanol?
The IUPAC name of (2,4-dimethylimidazo[1,5-a]pyrimidin-8-yl)methanol (CID 121328441) is (2,4-dimethylimidazo[1,5-a]pyrimidin-8-yl)methanol.
What is the SMILES notation for (2,4-dimethylimidazo[1,5-a]pyrimidin-8-yl)methanol?
The canonical SMILES for (2,4-dimethylimidazo[1,5-a]pyrimidin-8-yl)methanol is Cc1cc(C)n2cnc(CO)c2n1.
What is the InChIKey of (2,4-dimethylimidazo[1,5-a]pyrimidin-8-yl)methanol?
The InChIKey is LAAMGUDUIRTFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-6-3-7(2)12-5-10-8(4-13)9(12)11-6/h3,5,13H,4H2,1-2H3.
What are the key properties of (2,4-dimethylimidazo[1,5-a]pyrimidin-8-yl)methanol?
(2,4-dimethylimidazo[1,5-a]pyrimidin-8-yl)methanol has a molecular weight of 177.21 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylimidazo[1,5-a]pyrimidin-8-yl)methanol is sourced from PubChem (CID 121328441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).