pyrimido[1,2-c]pyrimidin-7-ium

C7H6N3+ — CID 91144617

IUPACpyrimido[1,2-c]pyrimidin-7-ium
SMILESC1=CN2C=[N+]=CC=C2N=C1
InChIInChI=1S/C7H6N3/c1-3-9-7-2-4-8-6-10(7)5-1/h1-6H/q+1
InChIKeyFHMXCBZPAVGCJE-UHFFFAOYSA-N
MW132.15 g/mol
LogP-0.09
Rot. Bonds

About pyrimido[1,2-c]pyrimidin-7-ium

pyrimido[1,2-c]pyrimidin-7-ium (PubChem CID 91144617) has the molecular formula C7H6N3+ and a molecular weight of 132.15 g/mol. Its IUPAC name is pyrimido[1,2-c]pyrimidin-7-ium.

Molecular Properties

Compound Namepyrimido[1,2-c]pyrimidin-7-ium
PubChem CID91144617
Molecular FormulaC7H6N3+
Molecular Weight132.15 g/mol
Exact Mass132.06
IUPAC Namepyrimido[1,2-c]pyrimidin-7-ium
SMILESC1=CN2C=[N+]=CC=C2N=C1
InChIInChI=1S/C7H6N3/c1-3-9-7-2-4-8-6-10(7)5-1/h1-6H/q+1
InChIKeyFHMXCBZPAVGCJE-UHFFFAOYSA-N
XLogP-0.09
TPSA29.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.15
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze pyrimido[1,2-c]pyrimidin-7-ium 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

2-Imino-1-methyl-1,2-dihydro-pyrimidine
CID 417750
N-(1-Methyl-2(1H)-pyrimidinylidene)methanamine
CID 21719087
Pyrimidine, 2-ethylimino-1,2-dihydro-1-methyl-
CID 89030559
Pyrimido[1,2-a]pyrimidine
CID 17990712
1-Methylpyrimidine
CID 18974088
N,S-dimethyl-dihydropyrimidine
CID 22604951
3-Cyanopyrimidine
CID 23287905
n-Vinylpyrimidine
CID 23364352
Pyrimido[2,3-c]-(1,2,4)triazine
CID 129779837
1-iodo-2H-pyrimidine
CID 17923341
(2E)-1-methanidyl-2-(1-methylidenepyrimidin-1-ium-2-ylidene)pyrimidine
CID 22081154
CID 57465833
CID 57465833

Frequently Asked Questions

What is the IUPAC name of pyrimido[1,2-c]pyrimidin-7-ium?
The IUPAC name of pyrimido[1,2-c]pyrimidin-7-ium (CID 91144617) is pyrimido[1,2-c]pyrimidin-7-ium.
What is the SMILES notation for pyrimido[1,2-c]pyrimidin-7-ium?
The canonical SMILES for pyrimido[1,2-c]pyrimidin-7-ium is C1=CN2C=[N+]=CC=C2N=C1.
What is the InChIKey of pyrimido[1,2-c]pyrimidin-7-ium?
The InChIKey is FHMXCBZPAVGCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N3/c1-3-9-7-2-4-8-6-10(7)5-1/h1-6H/q+1.
What are the key properties of pyrimido[1,2-c]pyrimidin-7-ium?
pyrimido[1,2-c]pyrimidin-7-ium has a molecular weight of 132.15 g/mol, XLogP of -0.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimido[1,2-c]pyrimidin-7-ium is sourced from PubChem (CID 91144617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).