1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)ethanone

C9H15N3O — CID 67881854

IUPAC1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)ethanone
SMILESCC(=O)N1CCCN2CCCN=C21
InChIInChI=1S/C9H15N3O/c1-8(13)12-7-3-6-11-5-2-4-10-9(11)12/h2-7H2,1H3
InChIKeyJIQSFIJJXOOKCL-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.30
Rot. Bonds

About 1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)ethanone

1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)ethanone (PubChem CID 67881854) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)ethanone
PubChem CID67881854
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)ethanone
SMILESCC(=O)N1CCCN2CCCN=C21
InChIInChI=1S/C9H15N3O/c1-8(13)12-7-3-6-11-5-2-4-10-9(11)12/h2-7H2,1H3
InChIKeyJIQSFIJJXOOKCL-UHFFFAOYSA-N
XLogP0.30
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)ethanone 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 1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)ethanone?
The IUPAC name of 1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)ethanone (CID 67881854) is 1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)ethanone.
What is the SMILES notation for 1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)ethanone?
The canonical SMILES for 1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)ethanone is CC(=O)N1CCCN2CCCN=C21.
What is the InChIKey of 1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)ethanone?
The InChIKey is JIQSFIJJXOOKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-8(13)12-7-3-6-11-5-2-4-10-9(11)12/h2-7H2,1H3.
What are the key properties of 1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)ethanone?
1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)ethanone has a molecular weight of 181.24 g/mol, XLogP of 0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)ethanone is sourced from PubChem (CID 67881854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).