3,7-dimethyl-6H-imidazo[1,5-c]pyrimidin-5-one

C8H9N3O — CID 13339922

IUPAC3,7-dimethyl-6H-imidazo[1,5-c]pyrimidin-5-one
SMILESCc1cc2cnc(C)n2c(=O)[nH]1
InChIInChI=1S/C8H9N3O/c1-5-3-7-4-9-6(2)11(7)8(12)10-5/h3-4H,1-2H3,(H,10,12)
InChIKeyJCAUVGGENVJABN-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.64
Rot. Bonds

About 3,7-dimethyl-6H-imidazo[1,5-c]pyrimidin-5-one

3,7-dimethyl-6H-imidazo[1,5-c]pyrimidin-5-one (PubChem CID 13339922) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 3,7-dimethyl-6H-imidazo[1,5-c]pyrimidin-5-one.

Molecular Properties

Compound Name3,7-dimethyl-6H-imidazo[1,5-c]pyrimidin-5-one
PubChem CID13339922
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name3,7-dimethyl-6H-imidazo[1,5-c]pyrimidin-5-one
SMILESCc1cc2cnc(C)n2c(=O)[nH]1
InChIInChI=1S/C8H9N3O/c1-5-3-7-4-9-6(2)11(7)8(12)10-5/h3-4H,1-2H3,(H,10,12)
InChIKeyJCAUVGGENVJABN-UHFFFAOYSA-N
XLogP0.64
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-6H-imidazo[1,5-c]pyrimidin-5-one?
The IUPAC name of 3,7-dimethyl-6H-imidazo[1,5-c]pyrimidin-5-one (CID 13339922) is 3,7-dimethyl-6H-imidazo[1,5-c]pyrimidin-5-one.
What is the SMILES notation for 3,7-dimethyl-6H-imidazo[1,5-c]pyrimidin-5-one?
The canonical SMILES for 3,7-dimethyl-6H-imidazo[1,5-c]pyrimidin-5-one is Cc1cc2cnc(C)n2c(=O)[nH]1.
What is the InChIKey of 3,7-dimethyl-6H-imidazo[1,5-c]pyrimidin-5-one?
The InChIKey is JCAUVGGENVJABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-5-3-7-4-9-6(2)11(7)8(12)10-5/h3-4H,1-2H3,(H,10,12).
What are the key properties of 3,7-dimethyl-6H-imidazo[1,5-c]pyrimidin-5-one?
3,7-dimethyl-6H-imidazo[1,5-c]pyrimidin-5-one has a molecular weight of 163.18 g/mol, XLogP of 0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-6H-imidazo[1,5-c]pyrimidin-5-one is sourced from PubChem (CID 13339922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).