5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyrimidin-3-one

C6H9N3O — CID 55288319

IUPAC5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyrimidin-3-one
SMILESO=C1CN=C2NCCCN12
InChIInChI=1S/C6H9N3O/c10-5-4-8-6-7-2-1-3-9(5)6/h1-4H2,(H,7,8)
InChIKeyHVUVAYBRIVITQV-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.82
Rot. Bonds

About 5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyrimidin-3-one

5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyrimidin-3-one (PubChem CID 55288319) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyrimidin-3-one.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyrimidin-3-one
PubChem CID55288319
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyrimidin-3-one
SMILESO=C1CN=C2NCCCN12
InChIInChI=1S/C6H9N3O/c10-5-4-8-6-7-2-1-3-9(5)6/h1-4H2,(H,7,8)
InChIKeyHVUVAYBRIVITQV-UHFFFAOYSA-N
XLogP-0.82
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyrimidin-3-one?
The IUPAC name of 5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyrimidin-3-one (CID 55288319) is 5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyrimidin-3-one.
What is the SMILES notation for 5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyrimidin-3-one?
The canonical SMILES for 5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyrimidin-3-one is O=C1CN=C2NCCCN12.
What is the InChIKey of 5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyrimidin-3-one?
The InChIKey is HVUVAYBRIVITQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c10-5-4-8-6-7-2-1-3-9(5)6/h1-4H2,(H,7,8).
What are the key properties of 5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyrimidin-3-one?
5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyrimidin-3-one has a molecular weight of 139.16 g/mol, XLogP of -0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyrimidin-3-one is sourced from PubChem (CID 55288319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).