(1S)-1-pyrimidin-5-ylprop-2-en-1-amine

C7H9N3 — CID 130737229

IUPAC(1S)-1-pyrimidin-5-ylprop-2-en-1-amine
SMILESC=C[C@H](N)c1cncnc1
InChIInChI=1S/C7H9N3/c1-2-7(8)6-3-9-5-10-4-6/h2-5,7H,1,8H2/t7-/m0/s1
InChIKeyJOLFZGXJZCIENN-ZETCQYMHSA-N
MW135.17 g/mol
LogP0.66
Rot. Bonds2

About (1S)-1-pyrimidin-5-ylprop-2-en-1-amine

(1S)-1-pyrimidin-5-ylprop-2-en-1-amine (PubChem CID 130737229) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is (1S)-1-pyrimidin-5-ylprop-2-en-1-amine.

Molecular Properties

Compound Name(1S)-1-pyrimidin-5-ylprop-2-en-1-amine
PubChem CID130737229
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name(1S)-1-pyrimidin-5-ylprop-2-en-1-amine
SMILESC=C[C@H](N)c1cncnc1
InChIInChI=1S/C7H9N3/c1-2-7(8)6-3-9-5-10-4-6/h2-5,7H,1,8H2/t7-/m0/s1
InChIKeyJOLFZGXJZCIENN-ZETCQYMHSA-N
XLogP0.66
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 ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-pyrimidin-5-ylprop-2-en-1-amine?
The IUPAC name of (1S)-1-pyrimidin-5-ylprop-2-en-1-amine (CID 130737229) is (1S)-1-pyrimidin-5-ylprop-2-en-1-amine.
What is the SMILES notation for (1S)-1-pyrimidin-5-ylprop-2-en-1-amine?
The canonical SMILES for (1S)-1-pyrimidin-5-ylprop-2-en-1-amine is C=C[C@H](N)c1cncnc1.
What is the InChIKey of (1S)-1-pyrimidin-5-ylprop-2-en-1-amine?
The InChIKey is JOLFZGXJZCIENN-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H9N3/c1-2-7(8)6-3-9-5-10-4-6/h2-5,7H,1,8H2/t7-/m0/s1.
What are the key properties of (1S)-1-pyrimidin-5-ylprop-2-en-1-amine?
(1S)-1-pyrimidin-5-ylprop-2-en-1-amine has a molecular weight of 135.17 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-pyrimidin-5-ylprop-2-en-1-amine is sourced from PubChem (CID 130737229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).