1-pyrimidin-5-ylpropan-1-imine

C7H9N3 — CID 130054419

IUPAC1-pyrimidin-5-ylpropan-1-imine
SMILES[H]/N=C(\CC)c1cncnc1
InChIInChI=1S/C7H9N3/c1-2-7(8)6-3-9-5-10-4-6/h3-5,8H,2H2,1H3/b8-7+
InChIKeyPMONSSRXZGWYCV-BQYQJAHWSA-N
MW135.17 g/mol
LogP1.25
Rot. Bonds2

About 1-pyrimidin-5-ylpropan-1-imine

1-pyrimidin-5-ylpropan-1-imine (PubChem CID 130054419) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 1-pyrimidin-5-ylpropan-1-imine.

Molecular Properties

Compound Name1-pyrimidin-5-ylpropan-1-imine
PubChem CID130054419
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name1-pyrimidin-5-ylpropan-1-imine
SMILES[H]/N=C(\CC)c1cncnc1
InChIInChI=1S/C7H9N3/c1-2-7(8)6-3-9-5-10-4-6/h3-5,8H,2H2,1H3/b8-7+
InChIKeyPMONSSRXZGWYCV-BQYQJAHWSA-N
XLogP1.25
TPSA49.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.25
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 1-pyrimidin-5-ylpropan-1-imine?
The IUPAC name of 1-pyrimidin-5-ylpropan-1-imine (CID 130054419) is 1-pyrimidin-5-ylpropan-1-imine.
What is the SMILES notation for 1-pyrimidin-5-ylpropan-1-imine?
The canonical SMILES for 1-pyrimidin-5-ylpropan-1-imine is [H]/N=C(\CC)c1cncnc1.
What is the InChIKey of 1-pyrimidin-5-ylpropan-1-imine?
The InChIKey is PMONSSRXZGWYCV-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H9N3/c1-2-7(8)6-3-9-5-10-4-6/h3-5,8H,2H2,1H3/b8-7+.
What are the key properties of 1-pyrimidin-5-ylpropan-1-imine?
1-pyrimidin-5-ylpropan-1-imine has a molecular weight of 135.17 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-5-ylpropan-1-imine is sourced from PubChem (CID 130054419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).