3-(2-oxoheptyl)-6H-imidazo[1,2-c]pyrimidin-5-one

C13H17N3O2 — CID 166485143

IUPAC3-(2-oxoheptyl)-6H-imidazo[1,2-c]pyrimidin-5-one
SMILESCCCCCC(=O)Cc1cnc2cc[nH]c(=O)n12
InChIInChI=1S/C13H17N3O2/c1-2-3-4-5-11(17)8-10-9-15-12-6-7-14-13(18)16(10)12/h6-7,9H,2-5,8H2,1H3,(H,14,18)
InChIKeyOASLSHSYHWZZDZ-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.71
Rot. Bonds6

About 3-(2-oxoheptyl)-6H-imidazo[1,2-c]pyrimidin-5-one

3-(2-oxoheptyl)-6H-imidazo[1,2-c]pyrimidin-5-one (PubChem CID 166485143) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-(2-oxoheptyl)-6H-imidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name3-(2-oxoheptyl)-6H-imidazo[1,2-c]pyrimidin-5-one
PubChem CID166485143
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-(2-oxoheptyl)-6H-imidazo[1,2-c]pyrimidin-5-one
SMILESCCCCCC(=O)Cc1cnc2cc[nH]c(=O)n12
InChIInChI=1S/C13H17N3O2/c1-2-3-4-5-11(17)8-10-9-15-12-6-7-14-13(18)16(10)12/h6-7,9H,2-5,8H2,1H3,(H,14,18)
InChIKeyOASLSHSYHWZZDZ-UHFFFAOYSA-N
XLogP1.71
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(2-oxoheptyl)-6H-imidazo[1,2-c]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxoheptyl)-6H-imidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 3-(2-oxoheptyl)-6H-imidazo[1,2-c]pyrimidin-5-one (CID 166485143) is 3-(2-oxoheptyl)-6H-imidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 3-(2-oxoheptyl)-6H-imidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 3-(2-oxoheptyl)-6H-imidazo[1,2-c]pyrimidin-5-one is CCCCCC(=O)Cc1cnc2cc[nH]c(=O)n12.
What is the InChIKey of 3-(2-oxoheptyl)-6H-imidazo[1,2-c]pyrimidin-5-one?
The InChIKey is OASLSHSYHWZZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-2-3-4-5-11(17)8-10-9-15-12-6-7-14-13(18)16(10)12/h6-7,9H,2-5,8H2,1H3,(H,14,18).
What are the key properties of 3-(2-oxoheptyl)-6H-imidazo[1,2-c]pyrimidin-5-one?
3-(2-oxoheptyl)-6H-imidazo[1,2-c]pyrimidin-5-one has a molecular weight of 247.30 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxoheptyl)-6H-imidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 166485143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).