4,4-dideuterio-3H-pyridin-6-amine

C5H8N2 — CID 172816357

IUPAC4,4-dideuterio-3H-pyridin-6-amine
SMILES[2H]C1([2H])C=C(N)N=CC1
InChIInChI=1S/C5H8N2/c6-5-3-1-2-4-7-5/h3-4H,1-2,6H2/i1D2
InChIKeySWBVHDUHZQMKEK-DICFDUPASA-N
MW98.15 g/mol
LogP0.65
Rot. Bonds

About 4,4-dideuterio-3H-pyridin-6-amine

4,4-dideuterio-3H-pyridin-6-amine (PubChem CID 172816357) has the molecular formula C5H8N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 4,4-dideuterio-3H-pyridin-6-amine.

Molecular Properties

Compound Name4,4-dideuterio-3H-pyridin-6-amine
PubChem CID172816357
Molecular FormulaC5H8N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name4,4-dideuterio-3H-pyridin-6-amine
SMILES[2H]C1([2H])C=C(N)N=CC1
InChIInChI=1S/C5H8N2/c6-5-3-1-2-4-7-5/h3-4H,1-2,6H2/i1D2
InChIKeySWBVHDUHZQMKEK-DICFDUPASA-N
XLogP0.65
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4-dideuterio-3H-pyridin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Amino-3h-pyrrole
CID 142772290
N-(3-fluoro-3,4-dihydropyridin-6-yl)methanimine
CID 91428814
3-Fluoro-3,4-dihydropyridin-6-amine
CID 153184439
(3R)-3-fluoro-3,4-dihydropyridin-6-amine
CID 164060921
3,4-Dihydropyridin-6-amine
CID 22751226
5-methylidene-4H-pyridin-2-amine
CID 67442858
4-iodo-4-methyl-3H-pyridin-6-amine
CID 68375332
(3S)-3-methyl-3,4-dihydropyridin-6-amine
CID 89024019
4-Methyl-3,4-dihydropyridin-6-amine
CID 89299127
4,4-dimethyl-3H-pyridin-6-amine
CID 89299128
3-Methyl-3,4-dihydropyridin-6-amine
CID 89440958
Pent-1-ene-1,5-diimine
CID 139916501

Frequently Asked Questions

What is the IUPAC name of 4,4-dideuterio-3H-pyridin-6-amine?
The IUPAC name of 4,4-dideuterio-3H-pyridin-6-amine (CID 172816357) is 4,4-dideuterio-3H-pyridin-6-amine.
What is the SMILES notation for 4,4-dideuterio-3H-pyridin-6-amine?
The canonical SMILES for 4,4-dideuterio-3H-pyridin-6-amine is [2H]C1([2H])C=C(N)N=CC1.
What is the InChIKey of 4,4-dideuterio-3H-pyridin-6-amine?
The InChIKey is SWBVHDUHZQMKEK-DICFDUPASA-N. The full InChI is InChI=1S/C5H8N2/c6-5-3-1-2-4-7-5/h3-4H,1-2,6H2/i1D2.
What are the key properties of 4,4-dideuterio-3H-pyridin-6-amine?
4,4-dideuterio-3H-pyridin-6-amine has a molecular weight of 98.15 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dideuterio-3H-pyridin-6-amine is sourced from PubChem (CID 172816357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).