pyrimido[1,2-a]pyrimidine

C7H5N3 — CID 57465833

IUPACpyrimido[1,2-a]pyrimidine
SMILESC1=CN=C2N=CC=CN2C=1
InChIInChI=1S/C7H5N3/c1-3-8-7-9-4-2-6-10(7)5-1/h1,3-6H
InChIKeyMDTDXIBWTUXGEG-UHFFFAOYSA-N
MW131.14 g/mol
LogP0.88
Rot. Bonds

About pyrimido[1,2-a]pyrimidine

pyrimido[1,2-a]pyrimidine (PubChem CID 57465833) has the molecular formula C7H5N3 and a molecular weight of 131.14 g/mol. Its IUPAC name is pyrimido[1,2-a]pyrimidine.

Molecular Properties

Compound Namepyrimido[1,2-a]pyrimidine
PubChem CID57465833
Molecular FormulaC7H5N3
Molecular Weight131.14 g/mol
Exact Mass131.05
IUPAC Namepyrimido[1,2-a]pyrimidine
SMILESC1=CN=C2N=CC=CN2C=1
InChIInChI=1S/C7H5N3/c1-3-8-7-9-4-2-6-10(7)5-1/h1,3-6H
InChIKeyMDTDXIBWTUXGEG-UHFFFAOYSA-N
XLogP0.88
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.14
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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

Frequently Asked Questions

What is the IUPAC name of pyrimido[1,2-a]pyrimidine?
The IUPAC name of pyrimido[1,2-a]pyrimidine (CID 57465833) is pyrimido[1,2-a]pyrimidine.
What is the SMILES notation for pyrimido[1,2-a]pyrimidine?
The canonical SMILES for pyrimido[1,2-a]pyrimidine is C1=CN=C2N=CC=CN2C=1.
What is the InChIKey of pyrimido[1,2-a]pyrimidine?
The InChIKey is MDTDXIBWTUXGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3/c1-3-8-7-9-4-2-6-10(7)5-1/h1,3-6H.
What are the key properties of pyrimido[1,2-a]pyrimidine?
pyrimido[1,2-a]pyrimidine has a molecular weight of 131.14 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimido[1,2-a]pyrimidine is sourced from PubChem (CID 57465833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).