imidazo[1,5-a]pyrimidin-6-yl-(2-methylphenyl)methanone

C14H11N3O — CID 122549122

IUPACimidazo[1,5-a]pyrimidin-6-yl-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1ncc2ncccn12
InChIInChI=1S/C14H11N3O/c1-10-5-2-3-6-11(10)13(18)14-16-9-12-15-7-4-8-17(12)14/h2-9H,1H3
InChIKeyWRQDMZRGDPHGKS-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.27
Rot. Bonds2

About imidazo[1,5-a]pyrimidin-6-yl-(2-methylphenyl)methanone

imidazo[1,5-a]pyrimidin-6-yl-(2-methylphenyl)methanone (PubChem CID 122549122) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is imidazo[1,5-a]pyrimidin-6-yl-(2-methylphenyl)methanone.

Molecular Properties

Compound Nameimidazo[1,5-a]pyrimidin-6-yl-(2-methylphenyl)methanone
PubChem CID122549122
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Nameimidazo[1,5-a]pyrimidin-6-yl-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1ncc2ncccn12
InChIInChI=1S/C14H11N3O/c1-10-5-2-3-6-11(10)13(18)14-16-9-12-15-7-4-8-17(12)14/h2-9H,1H3
InChIKeyWRQDMZRGDPHGKS-UHFFFAOYSA-N
XLogP2.27
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of imidazo[1,5-a]pyrimidin-6-yl-(2-methylphenyl)methanone?
The IUPAC name of imidazo[1,5-a]pyrimidin-6-yl-(2-methylphenyl)methanone (CID 122549122) is imidazo[1,5-a]pyrimidin-6-yl-(2-methylphenyl)methanone.
What is the SMILES notation for imidazo[1,5-a]pyrimidin-6-yl-(2-methylphenyl)methanone?
The canonical SMILES for imidazo[1,5-a]pyrimidin-6-yl-(2-methylphenyl)methanone is Cc1ccccc1C(=O)c1ncc2ncccn12.
What is the InChIKey of imidazo[1,5-a]pyrimidin-6-yl-(2-methylphenyl)methanone?
The InChIKey is WRQDMZRGDPHGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c1-10-5-2-3-6-11(10)13(18)14-16-9-12-15-7-4-8-17(12)14/h2-9H,1H3.
What are the key properties of imidazo[1,5-a]pyrimidin-6-yl-(2-methylphenyl)methanone?
imidazo[1,5-a]pyrimidin-6-yl-(2-methylphenyl)methanone has a molecular weight of 237.26 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,5-a]pyrimidin-6-yl-(2-methylphenyl)methanone is sourced from PubChem (CID 122549122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).