pyrimidin-2-ylmethanimine

C5H5N3 — CID 57055504

IUPACpyrimidin-2-ylmethanimine
SMILES[H]/N=C/c1ncccn1
InChIInChI=1S/C5H5N3/c6-4-5-7-2-1-3-8-5/h1-4,6H/b6-4+
InChIKeyKSQIQMUQPXONCB-GQCTYLIASA-N
MW107.12 g/mol
LogP0.47
Rot. Bonds1

About pyrimidin-2-ylmethanimine

pyrimidin-2-ylmethanimine (PubChem CID 57055504) has the molecular formula C5H5N3 and a molecular weight of 107.12 g/mol. Its IUPAC name is pyrimidin-2-ylmethanimine.

Molecular Properties

Compound Namepyrimidin-2-ylmethanimine
PubChem CID57055504
Molecular FormulaC5H5N3
Molecular Weight107.12 g/mol
Exact Mass107.05
IUPAC Namepyrimidin-2-ylmethanimine
SMILES[H]/N=C/c1ncccn1
InChIInChI=1S/C5H5N3/c6-4-5-7-2-1-3-8-5/h1-4,6H/b6-4+
InChIKeyKSQIQMUQPXONCB-GQCTYLIASA-N
XLogP0.47
TPSA49.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.12
LogP ≤ 50.47
H-Bond Donors ≤ 51
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 pyrimidin-2-ylmethanimine?
The IUPAC name of pyrimidin-2-ylmethanimine (CID 57055504) is pyrimidin-2-ylmethanimine.
What is the SMILES notation for pyrimidin-2-ylmethanimine?
The canonical SMILES for pyrimidin-2-ylmethanimine is [H]/N=C/c1ncccn1.
What is the InChIKey of pyrimidin-2-ylmethanimine?
The InChIKey is KSQIQMUQPXONCB-GQCTYLIASA-N. The full InChI is InChI=1S/C5H5N3/c6-4-5-7-2-1-3-8-5/h1-4,6H/b6-4+.
What are the key properties of pyrimidin-2-ylmethanimine?
pyrimidin-2-ylmethanimine has a molecular weight of 107.12 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-2-ylmethanimine is sourced from PubChem (CID 57055504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).