6-ethenyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine

C9H15N3 — CID 141271072

IUPAC6-ethenyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
SMILESC=CC1CCNC2=NCCCN21
InChIInChI=1S/C9H15N3/c1-2-8-4-6-11-9-10-5-3-7-12(8)9/h2,8H,1,3-7H2,(H,10,11)
InChIKeyAXQFHRVNIFXYTN-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.60
Rot. Bonds1

About 6-ethenyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine

6-ethenyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine (PubChem CID 141271072) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 6-ethenyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-ethenyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
PubChem CID141271072
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name6-ethenyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
SMILESC=CC1CCNC2=NCCCN21
InChIInChI=1S/C9H15N3/c1-2-8-4-6-11-9-10-5-3-7-12(8)9/h2,8H,1,3-7H2,(H,10,11)
InChIKeyAXQFHRVNIFXYTN-UHFFFAOYSA-N
XLogP0.60
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-ethenyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

6-prop-1-enyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
CID 141271071
3-[(1,4-Dimethylpiperazin-2-yl)methyl]-1,2-dimethyl-1-pent-4-enylguanidine
CID 109499144

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
The IUPAC name of 6-ethenyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine (CID 141271072) is 6-ethenyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine.
What is the SMILES notation for 6-ethenyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
The canonical SMILES for 6-ethenyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine is C=CC1CCNC2=NCCCN21.
What is the InChIKey of 6-ethenyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
The InChIKey is AXQFHRVNIFXYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-2-8-4-6-11-9-10-5-3-7-12(8)9/h2,8H,1,3-7H2,(H,10,11).
What are the key properties of 6-ethenyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
6-ethenyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine has a molecular weight of 165.24 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine is sourced from PubChem (CID 141271072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).