3H-imidazo[1,2-a]pyrimidin-5-one

C6H5N3O — CID 19100927

IUPAC3H-imidazo[1,2-a]pyrimidin-5-one
SMILESO=c1ccnc2n1CC=N2
InChIInChI=1S/C6H5N3O/c10-5-1-2-7-6-8-3-4-9(5)6/h1-3H,4H2
InChIKeySLUYEZHWAHGANQ-UHFFFAOYSA-N
MW135.13 g/mol
LogP-0.04
Rot. Bonds

About 3H-imidazo[1,2-a]pyrimidin-5-one

3H-imidazo[1,2-a]pyrimidin-5-one (PubChem CID 19100927) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is 3H-imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3H-imidazo[1,2-a]pyrimidin-5-one
PubChem CID19100927
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name3H-imidazo[1,2-a]pyrimidin-5-one
SMILESO=c1ccnc2n1CC=N2
InChIInChI=1S/C6H5N3O/c10-5-1-2-7-6-8-3-4-9(5)6/h1-3H,4H2
InChIKeySLUYEZHWAHGANQ-UHFFFAOYSA-N
XLogP-0.04
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3H-imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 3H-imidazo[1,2-a]pyrimidin-5-one (CID 19100927) is 3H-imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 3H-imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 3H-imidazo[1,2-a]pyrimidin-5-one is O=c1ccnc2n1CC=N2.
What is the InChIKey of 3H-imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is SLUYEZHWAHGANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c10-5-1-2-7-6-8-3-4-9(5)6/h1-3H,4H2.
What are the key properties of 3H-imidazo[1,2-a]pyrimidin-5-one?
3H-imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 135.13 g/mol, XLogP of -0.04, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 19100927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).