2-methyl-1H-imidazo[1,5-a]pyrimidin-4-one

C7H7N3O — CID 45082880

IUPAC2-methyl-1H-imidazo[1,5-a]pyrimidin-4-one
SMILESCc1cc(=O)n2cncc2[nH]1
InChIInChI=1S/C7H7N3O/c1-5-2-7(11)10-4-8-3-6(10)9-5/h2-4,9H,1H3
InChIKeyBJMODBFOEVXSQP-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.33
Rot. Bonds

About 2-methyl-1H-imidazo[1,5-a]pyrimidin-4-one

2-methyl-1H-imidazo[1,5-a]pyrimidin-4-one (PubChem CID 45082880) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 2-methyl-1H-imidazo[1,5-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-1H-imidazo[1,5-a]pyrimidin-4-one
PubChem CID45082880
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name2-methyl-1H-imidazo[1,5-a]pyrimidin-4-one
SMILESCc1cc(=O)n2cncc2[nH]1
InChIInChI=1S/C7H7N3O/c1-5-2-7(11)10-4-8-3-6(10)9-5/h2-4,9H,1H3
InChIKeyBJMODBFOEVXSQP-UHFFFAOYSA-N
XLogP0.33
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-imidazo[1,5-a]pyrimidin-4-one?
The IUPAC name of 2-methyl-1H-imidazo[1,5-a]pyrimidin-4-one (CID 45082880) is 2-methyl-1H-imidazo[1,5-a]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-1H-imidazo[1,5-a]pyrimidin-4-one?
The canonical SMILES for 2-methyl-1H-imidazo[1,5-a]pyrimidin-4-one is Cc1cc(=O)n2cncc2[nH]1.
What is the InChIKey of 2-methyl-1H-imidazo[1,5-a]pyrimidin-4-one?
The InChIKey is BJMODBFOEVXSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c1-5-2-7(11)10-4-8-3-6(10)9-5/h2-4,9H,1H3.
What are the key properties of 2-methyl-1H-imidazo[1,5-a]pyrimidin-4-one?
2-methyl-1H-imidazo[1,5-a]pyrimidin-4-one has a molecular weight of 149.15 g/mol, XLogP of 0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-imidazo[1,5-a]pyrimidin-4-one is sourced from PubChem (CID 45082880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).