1-bromo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one

C6H6BrN3O — CID 84681495

IUPAC1-bromo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one
SMILESO=C1NCCc2c(Br)ncn21
InChIInChI=1S/C6H6BrN3O/c7-5-4-1-2-8-6(11)10(4)3-9-5/h3H,1-2H2,(H,8,11)
InChIKeyRZMAWLZUQMYTJE-UHFFFAOYSA-N
MW216.04 g/mol
LogP0.76
Rot. Bonds

About 1-bromo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one

1-bromo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one (PubChem CID 84681495) has the molecular formula C6H6BrN3O and a molecular weight of 216.04 g/mol. Its IUPAC name is 1-bromo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one.

Molecular Properties

Compound Name1-bromo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one
PubChem CID84681495
Molecular FormulaC6H6BrN3O
Molecular Weight216.04 g/mol
Exact Mass214.97
IUPAC Name1-bromo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one
SMILESO=C1NCCc2c(Br)ncn21
InChIInChI=1S/C6H6BrN3O/c7-5-4-1-2-8-6(11)10(4)3-9-5/h3H,1-2H2,(H,8,11)
InChIKeyRZMAWLZUQMYTJE-UHFFFAOYSA-N
XLogP0.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.04
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one?
The IUPAC name of 1-bromo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one (CID 84681495) is 1-bromo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one.
What is the SMILES notation for 1-bromo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one?
The canonical SMILES for 1-bromo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one is O=C1NCCc2c(Br)ncn21.
What is the InChIKey of 1-bromo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one?
The InChIKey is RZMAWLZUQMYTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrN3O/c7-5-4-1-2-8-6(11)10(4)3-9-5/h3H,1-2H2,(H,8,11).
What are the key properties of 1-bromo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one?
1-bromo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one has a molecular weight of 216.04 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one is sourced from PubChem (CID 84681495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).