N-[(2Z)-2-ethylidenepyrimidin-1-yl]methanimine

C7H9N3 — CID 134578029

IUPACN-[(2Z)-2-ethylidenepyrimidin-1-yl]methanimine
SMILESC=NN1C=CC=N/C1=C/C
InChIInChI=1S/C7H9N3/c1-3-7-9-5-4-6-10(7)8-2/h3-6H,2H2,1H3/b7-3-
InChIKeyCNGUMOZVLHJRAK-CLTKARDFSA-N
MW135.17 g/mol
LogP1.36
Rot. Bonds1

About N-[(2Z)-2-ethylidenepyrimidin-1-yl]methanimine

N-[(2Z)-2-ethylidenepyrimidin-1-yl]methanimine (PubChem CID 134578029) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is N-[(2Z)-2-ethylidenepyrimidin-1-yl]methanimine.

Molecular Properties

Compound NameN-[(2Z)-2-ethylidenepyrimidin-1-yl]methanimine
PubChem CID134578029
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC NameN-[(2Z)-2-ethylidenepyrimidin-1-yl]methanimine
SMILESC=NN1C=CC=N/C1=C/C
InChIInChI=1S/C7H9N3/c1-3-7-9-5-4-6-10(7)8-2/h3-6H,2H2,1H3/b7-3-
InChIKeyCNGUMOZVLHJRAK-CLTKARDFSA-N
XLogP1.36
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-ethylidenepyrimidin-1-yl]methanimine?
The IUPAC name of N-[(2Z)-2-ethylidenepyrimidin-1-yl]methanimine (CID 134578029) is N-[(2Z)-2-ethylidenepyrimidin-1-yl]methanimine.
What is the SMILES notation for N-[(2Z)-2-ethylidenepyrimidin-1-yl]methanimine?
The canonical SMILES for N-[(2Z)-2-ethylidenepyrimidin-1-yl]methanimine is C=NN1C=CC=N/C1=C/C.
What is the InChIKey of N-[(2Z)-2-ethylidenepyrimidin-1-yl]methanimine?
The InChIKey is CNGUMOZVLHJRAK-CLTKARDFSA-N. The full InChI is InChI=1S/C7H9N3/c1-3-7-9-5-4-6-10(7)8-2/h3-6H,2H2,1H3/b7-3-.
What are the key properties of N-[(2Z)-2-ethylidenepyrimidin-1-yl]methanimine?
N-[(2Z)-2-ethylidenepyrimidin-1-yl]methanimine has a molecular weight of 135.17 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-ethylidenepyrimidin-1-yl]methanimine is sourced from PubChem (CID 134578029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).