2,6-dideuterio-3-imino-2H-pyridin-5-amine

C5H7N3 — CID 175714586

IUPAC2,6-dideuterio-3-imino-2H-pyridin-5-amine
SMILES[H]/N=C1/C=C(N)C([2H])=NC1[2H]
InChIInChI=1S/C5H7N3/c6-4-1-5(7)3-8-2-4/h1-2,7H,3,6H2/b7-5-/i2D,3D
InChIKeyUNQSZECRCVURET-QTJYBVJOSA-N
MW111.14 g/mol
LogP-0.07
Rot. Bonds

About 2,6-dideuterio-3-imino-2H-pyridin-5-amine

2,6-dideuterio-3-imino-2H-pyridin-5-amine (PubChem CID 175714586) has the molecular formula C5H7N3 and a molecular weight of 111.14 g/mol. Its IUPAC name is 2,6-dideuterio-3-imino-2H-pyridin-5-amine.

Molecular Properties

Compound Name2,6-dideuterio-3-imino-2H-pyridin-5-amine
PubChem CID175714586
Molecular FormulaC5H7N3
Molecular Weight111.14 g/mol
Exact Mass111.08
IUPAC Name2,6-dideuterio-3-imino-2H-pyridin-5-amine
SMILES[H]/N=C1/C=C(N)C([2H])=NC1[2H]
InChIInChI=1S/C5H7N3/c6-4-1-5(7)3-8-2-4/h1-2,7H,3,6H2/b7-5-/i2D,3D
InChIKeyUNQSZECRCVURET-QTJYBVJOSA-N
XLogP-0.07
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
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 2,6-dideuterio-3-imino-2H-pyridin-5-amine?
The IUPAC name of 2,6-dideuterio-3-imino-2H-pyridin-5-amine (CID 175714586) is 2,6-dideuterio-3-imino-2H-pyridin-5-amine.
What is the SMILES notation for 2,6-dideuterio-3-imino-2H-pyridin-5-amine?
The canonical SMILES for 2,6-dideuterio-3-imino-2H-pyridin-5-amine is [H]/N=C1/C=C(N)C([2H])=NC1[2H].
What is the InChIKey of 2,6-dideuterio-3-imino-2H-pyridin-5-amine?
The InChIKey is UNQSZECRCVURET-QTJYBVJOSA-N. The full InChI is InChI=1S/C5H7N3/c6-4-1-5(7)3-8-2-4/h1-2,7H,3,6H2/b7-5-/i2D,3D.
What are the key properties of 2,6-dideuterio-3-imino-2H-pyridin-5-amine?
2,6-dideuterio-3-imino-2H-pyridin-5-amine has a molecular weight of 111.14 g/mol, XLogP of -0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dideuterio-3-imino-2H-pyridin-5-amine is sourced from PubChem (CID 175714586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).