iron;pyrimidine

C4H4FeN2 — CID 160776334

IUPACiron;pyrimidine
SMILES[Fe].c1cncnc1
InChIInChI=1S/C4H4N2.Fe/c1-2-5-4-6-3-1;/h1-4H;
InChIKeyRZZMEKRTKCCIRL-UHFFFAOYSA-N
MW135.94 g/mol
LogP0.47
Rot. Bonds

About iron;pyrimidine

iron;pyrimidine (PubChem CID 160776334) has the molecular formula C4H4FeN2 and a molecular weight of 135.94 g/mol. Its IUPAC name is iron;pyrimidine.

Molecular Properties

Compound Nameiron;pyrimidine
PubChem CID160776334
Molecular FormulaC4H4FeN2
Molecular Weight135.94 g/mol
Exact Mass135.97
IUPAC Nameiron;pyrimidine
SMILES[Fe].c1cncnc1
InChIInChI=1S/C4H4N2.Fe/c1-2-5-4-6-3-1;/h1-4H;
InChIKeyRZZMEKRTKCCIRL-UHFFFAOYSA-N
XLogP0.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.94
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

pyrimidine;bis(tungsten(2+))
CID 175709201
copper;pyrimidine
CID 140826173
manganese;pyrimidine;sulfane
CID 174633913
pyrimidine;dihydrate;hydrochloride
CID 142797131
pyrimidine;pentahydrate;trihydrochloride
CID 139950322
methanethione;bis(pyrimidine)
CID 174411529
CID 174457230
CID 174457230
hypochlorous acid;pyrimidine
CID 161391603
iminonickel;pyrimidine
CID 175480865
pyrimidine;trimethylstannane
CID 157412303
pyrazine;pyridine;pyrimidine
CID 19013313
fluoroform;pyrimidine
CID 163693887

Frequently Asked Questions

What is the IUPAC name of iron;pyrimidine?
The IUPAC name of iron;pyrimidine (CID 160776334) is iron;pyrimidine.
What is the SMILES notation for iron;pyrimidine?
The canonical SMILES for iron;pyrimidine is [Fe].c1cncnc1.
What is the InChIKey of iron;pyrimidine?
The InChIKey is RZZMEKRTKCCIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2.Fe/c1-2-5-4-6-3-1;/h1-4H;.
What are the key properties of iron;pyrimidine?
iron;pyrimidine has a molecular weight of 135.94 g/mol, XLogP of 0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iron;pyrimidine is sourced from PubChem (CID 160776334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).