N,N,2,3,5,6-hexadeuteriopyridin-4-amine

C5H6N2 — CID 71308880

IUPACN,N,2,3,5,6-hexadeuteriopyridin-4-amine
SMILES[2H]c1nc([2H])c([2H])c(N([2H])[2H])c1[2H]
InChIInChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)/i1D,2D,3D,4D/hD2
InChIKeyNUKYPUAOHBNCPY-UDDMDDBKSA-N
MW100.15 g/mol
LogP0.66
Rot. Bonds1

About N,N,2,3,5,6-hexadeuteriopyridin-4-amine

N,N,2,3,5,6-hexadeuteriopyridin-4-amine (PubChem CID 71308880) has the molecular formula C5H6N2 and a molecular weight of 100.15 g/mol. Its IUPAC name is N,N,2,3,5,6-hexadeuteriopyridin-4-amine.

Molecular Properties

Compound NameN,N,2,3,5,6-hexadeuteriopyridin-4-amine
PubChem CID71308880
Molecular FormulaC5H6N2
Molecular Weight100.15 g/mol
Exact Mass100.09
IUPAC NameN,N,2,3,5,6-hexadeuteriopyridin-4-amine
SMILES[2H]c1nc([2H])c([2H])c(N([2H])[2H])c1[2H]
InChIInChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)/i1D,2D,3D,4D/hD2
InChIKeyNUKYPUAOHBNCPY-UDDMDDBKSA-N
XLogP0.66
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.15
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,2,3,5,6-hexadeuteriopyridin-4-amine?
The IUPAC name of N,N,2,3,5,6-hexadeuteriopyridin-4-amine (CID 71308880) is N,N,2,3,5,6-hexadeuteriopyridin-4-amine.
What is the SMILES notation for N,N,2,3,5,6-hexadeuteriopyridin-4-amine?
The canonical SMILES for N,N,2,3,5,6-hexadeuteriopyridin-4-amine is [2H]c1nc([2H])c([2H])c(N([2H])[2H])c1[2H].
What is the InChIKey of N,N,2,3,5,6-hexadeuteriopyridin-4-amine?
The InChIKey is NUKYPUAOHBNCPY-UDDMDDBKSA-N. The full InChI is InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)/i1D,2D,3D,4D/hD2.
What are the key properties of N,N,2,3,5,6-hexadeuteriopyridin-4-amine?
N,N,2,3,5,6-hexadeuteriopyridin-4-amine has a molecular weight of 100.15 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,3,5,6-hexadeuteriopyridin-4-amine is sourced from PubChem (CID 71308880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).