5-[(1R)-1-aminoprop-2-enyl]-6-methoxypyridin-3-amine

C9H13N3O — CID 55274368

IUPAC5-[(1R)-1-aminoprop-2-enyl]-6-methoxypyridin-3-amine
SMILESC=C[C@@H](N)c1cc(N)cnc1OC
InChIInChI=1S/C9H13N3O/c1-3-8(11)7-4-6(10)5-12-9(7)13-2/h3-5,8H,1,10-11H2,2H3/t8-/m1/s1
InChIKeyDALURJBYVYQPLZ-MRVPVSSYSA-N
MW179.22 g/mol
LogP0.86
Rot. Bonds3

About 5-[(1R)-1-aminoprop-2-enyl]-6-methoxypyridin-3-amine

5-[(1R)-1-aminoprop-2-enyl]-6-methoxypyridin-3-amine (PubChem CID 55274368) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-[(1R)-1-aminoprop-2-enyl]-6-methoxypyridin-3-amine.

Molecular Properties

Compound Name5-[(1R)-1-aminoprop-2-enyl]-6-methoxypyridin-3-amine
PubChem CID55274368
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name5-[(1R)-1-aminoprop-2-enyl]-6-methoxypyridin-3-amine
SMILESC=C[C@@H](N)c1cc(N)cnc1OC
InChIInChI=1S/C9H13N3O/c1-3-8(11)7-4-6(10)5-12-9(7)13-2/h3-5,8H,1,10-11H2,2H3/t8-/m1/s1
InChIKeyDALURJBYVYQPLZ-MRVPVSSYSA-N
XLogP0.86
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-[(1R)-1-aminoprop-2-enyl]-6-methoxypyridin-3-amine?
The IUPAC name of 5-[(1R)-1-aminoprop-2-enyl]-6-methoxypyridin-3-amine (CID 55274368) is 5-[(1R)-1-aminoprop-2-enyl]-6-methoxypyridin-3-amine.
What is the SMILES notation for 5-[(1R)-1-aminoprop-2-enyl]-6-methoxypyridin-3-amine?
The canonical SMILES for 5-[(1R)-1-aminoprop-2-enyl]-6-methoxypyridin-3-amine is C=C[C@@H](N)c1cc(N)cnc1OC.
What is the InChIKey of 5-[(1R)-1-aminoprop-2-enyl]-6-methoxypyridin-3-amine?
The InChIKey is DALURJBYVYQPLZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-3-8(11)7-4-6(10)5-12-9(7)13-2/h3-5,8H,1,10-11H2,2H3/t8-/m1/s1.
What are the key properties of 5-[(1R)-1-aminoprop-2-enyl]-6-methoxypyridin-3-amine?
5-[(1R)-1-aminoprop-2-enyl]-6-methoxypyridin-3-amine has a molecular weight of 179.22 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-aminoprop-2-enyl]-6-methoxypyridin-3-amine is sourced from PubChem (CID 55274368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).