N-[(E)-(1-methylpyrimidin-2-ylidene)methyl]ethanimine

C8H11N3 — CID 89329389

IUPACN-[(E)-(1-methylpyrimidin-2-ylidene)methyl]ethanimine
SMILESC/C=N/C=C1/N=CC=CN1C
InChIInChI=1S/C8H11N3/c1-3-9-7-8-10-5-4-6-11(8)2/h3-7H,1-2H3/b8-7-,9-3+
InChIKeyCAGHBYMSNWAEQU-WHMMHWJWSA-N
MW149.20 g/mol
LogP1.41
Rot. Bonds1

About N-[(E)-(1-methylpyrimidin-2-ylidene)methyl]ethanimine

N-[(E)-(1-methylpyrimidin-2-ylidene)methyl]ethanimine (PubChem CID 89329389) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is N-[(E)-(1-methylpyrimidin-2-ylidene)methyl]ethanimine.

Molecular Properties

Compound NameN-[(E)-(1-methylpyrimidin-2-ylidene)methyl]ethanimine
PubChem CID89329389
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC NameN-[(E)-(1-methylpyrimidin-2-ylidene)methyl]ethanimine
SMILESC/C=N/C=C1/N=CC=CN1C
InChIInChI=1S/C8H11N3/c1-3-9-7-8-10-5-4-6-11(8)2/h3-7H,1-2H3/b8-7-,9-3+
InChIKeyCAGHBYMSNWAEQU-WHMMHWJWSA-N
XLogP1.41
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.41
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-[(E)-(1-methylpyrimidin-2-ylidene)methyl]ethanimine?
The IUPAC name of N-[(E)-(1-methylpyrimidin-2-ylidene)methyl]ethanimine (CID 89329389) is N-[(E)-(1-methylpyrimidin-2-ylidene)methyl]ethanimine.
What is the SMILES notation for N-[(E)-(1-methylpyrimidin-2-ylidene)methyl]ethanimine?
The canonical SMILES for N-[(E)-(1-methylpyrimidin-2-ylidene)methyl]ethanimine is C/C=N/C=C1/N=CC=CN1C.
What is the InChIKey of N-[(E)-(1-methylpyrimidin-2-ylidene)methyl]ethanimine?
The InChIKey is CAGHBYMSNWAEQU-WHMMHWJWSA-N. The full InChI is InChI=1S/C8H11N3/c1-3-9-7-8-10-5-4-6-11(8)2/h3-7H,1-2H3/b8-7-,9-3+.
What are the key properties of N-[(E)-(1-methylpyrimidin-2-ylidene)methyl]ethanimine?
N-[(E)-(1-methylpyrimidin-2-ylidene)methyl]ethanimine has a molecular weight of 149.20 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-methylpyrimidin-2-ylidene)methyl]ethanimine is sourced from PubChem (CID 89329389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).