4-methylidenepyrimidin-1-ide

C5H4N2 — CID 58399096

IUPAC4-methylidenepyrimidin-1-ide
SMILES[H]/[C+]=C1\C=C[N-]C=N1
InChIInChI=1S/C5H4N2/c1-5-2-3-6-4-7-5/h1-4H
InChIKeyAULCKBGDOHBTEX-UHFFFAOYSA-N
MW92.10 g/mol
LogP1.23
Rot. Bonds

About 4-methylidenepyrimidin-1-ide

4-methylidenepyrimidin-1-ide (PubChem CID 58399096) has the molecular formula C5H4N2 and a molecular weight of 92.10 g/mol. Its IUPAC name is 4-methylidenepyrimidin-1-ide.

Molecular Properties

Compound Name4-methylidenepyrimidin-1-ide
PubChem CID58399096
Molecular FormulaC5H4N2
Molecular Weight92.10 g/mol
Exact Mass92.04
IUPAC Name4-methylidenepyrimidin-1-ide
SMILES[H]/[C+]=C1\C=C[N-]C=N1
InChIInChI=1S/C5H4N2/c1-5-2-3-6-4-7-5/h1-4H
InChIKeyAULCKBGDOHBTEX-UHFFFAOYSA-N
XLogP1.23
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.10
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylidenepyrimidin-1-ide?
The IUPAC name of 4-methylidenepyrimidin-1-ide (CID 58399096) is 4-methylidenepyrimidin-1-ide.
What is the SMILES notation for 4-methylidenepyrimidin-1-ide?
The canonical SMILES for 4-methylidenepyrimidin-1-ide is [H]/[C+]=C1\C=C[N-]C=N1.
What is the InChIKey of 4-methylidenepyrimidin-1-ide?
The InChIKey is AULCKBGDOHBTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2/c1-5-2-3-6-4-7-5/h1-4H.
What are the key properties of 4-methylidenepyrimidin-1-ide?
4-methylidenepyrimidin-1-ide has a molecular weight of 92.10 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidenepyrimidin-1-ide is sourced from PubChem (CID 58399096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).