3-pyrimidin-5-ylprop-2-en-1-amine

C7H9N3 — CID 54428386

IUPAC3-pyrimidin-5-ylprop-2-en-1-amine
SMILESNCC=Cc1cncnc1
InChIInChI=1S/C7H9N3/c8-3-1-2-7-4-9-6-10-5-7/h1-2,4-6H,3,8H2
InChIKeyWFTKGOSJJIRZEX-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.45
Rot. Bonds2

About 3-pyrimidin-5-ylprop-2-en-1-amine

3-pyrimidin-5-ylprop-2-en-1-amine (PubChem CID 54428386) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 3-pyrimidin-5-ylprop-2-en-1-amine.

Molecular Properties

Compound Name3-pyrimidin-5-ylprop-2-en-1-amine
PubChem CID54428386
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name3-pyrimidin-5-ylprop-2-en-1-amine
SMILESNCC=Cc1cncnc1
InChIInChI=1S/C7H9N3/c8-3-1-2-7-4-9-6-10-5-7/h1-2,4-6H,3,8H2
InChIKeyWFTKGOSJJIRZEX-UHFFFAOYSA-N
XLogP0.45
TPSA51.80 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 ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyrimidin-5-ylprop-2-en-1-amine?
The IUPAC name of 3-pyrimidin-5-ylprop-2-en-1-amine (CID 54428386) is 3-pyrimidin-5-ylprop-2-en-1-amine.
What is the SMILES notation for 3-pyrimidin-5-ylprop-2-en-1-amine?
The canonical SMILES for 3-pyrimidin-5-ylprop-2-en-1-amine is NCC=Cc1cncnc1.
What is the InChIKey of 3-pyrimidin-5-ylprop-2-en-1-amine?
The InChIKey is WFTKGOSJJIRZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c8-3-1-2-7-4-9-6-10-5-7/h1-2,4-6H,3,8H2.
What are the key properties of 3-pyrimidin-5-ylprop-2-en-1-amine?
3-pyrimidin-5-ylprop-2-en-1-amine has a molecular weight of 135.17 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-5-ylprop-2-en-1-amine is sourced from PubChem (CID 54428386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).