N-(5-methylpyrimidin-4-yl)ethanimine

C7H9N3 — CID 89493082

IUPACN-(5-methylpyrimidin-4-yl)ethanimine
SMILESC/C=N/c1ncncc1C
InChIInChI=1S/C7H9N3/c1-3-9-7-6(2)4-8-5-10-7/h3-5H,1-2H3/b9-3+
InChIKeyIJTURHKDGPTSAQ-YCRREMRBSA-N
MW135.17 g/mol
LogP1.51
Rot. Bonds1

About N-(5-methylpyrimidin-4-yl)ethanimine

N-(5-methylpyrimidin-4-yl)ethanimine (PubChem CID 89493082) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is N-(5-methylpyrimidin-4-yl)ethanimine.

Molecular Properties

Compound NameN-(5-methylpyrimidin-4-yl)ethanimine
PubChem CID89493082
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC NameN-(5-methylpyrimidin-4-yl)ethanimine
SMILESC/C=N/c1ncncc1C
InChIInChI=1S/C7H9N3/c1-3-9-7-6(2)4-8-5-10-7/h3-5H,1-2H3/b9-3+
InChIKeyIJTURHKDGPTSAQ-YCRREMRBSA-N
XLogP1.51
TPSA38.14 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 ≤ 51.51
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-(5-methylpyrimidin-4-yl)ethanimine?
The IUPAC name of N-(5-methylpyrimidin-4-yl)ethanimine (CID 89493082) is N-(5-methylpyrimidin-4-yl)ethanimine.
What is the SMILES notation for N-(5-methylpyrimidin-4-yl)ethanimine?
The canonical SMILES for N-(5-methylpyrimidin-4-yl)ethanimine is C/C=N/c1ncncc1C.
What is the InChIKey of N-(5-methylpyrimidin-4-yl)ethanimine?
The InChIKey is IJTURHKDGPTSAQ-YCRREMRBSA-N. The full InChI is InChI=1S/C7H9N3/c1-3-9-7-6(2)4-8-5-10-7/h3-5H,1-2H3/b9-3+.
What are the key properties of N-(5-methylpyrimidin-4-yl)ethanimine?
N-(5-methylpyrimidin-4-yl)ethanimine has a molecular weight of 135.17 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylpyrimidin-4-yl)ethanimine is sourced from PubChem (CID 89493082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).