2-deuteriopurine-2,6-diamine

C5H6N6 — CID 175978907

IUPAC2-deuteriopurine-2,6-diamine
SMILES[2H]C1(N)N=C(N)C2=NC=NC2=N1
InChIInChI=1S/C5H6N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1,5H,7H2,(H2,6,10)/i5D
InChIKeyKGPMNVHJVDETJJ-UICOGKGYSA-N
MW151.15 g/mol
LogP-1.52
Rot. Bonds

About 2-deuteriopurine-2,6-diamine

2-deuteriopurine-2,6-diamine (PubChem CID 175978907) has the molecular formula C5H6N6 and a molecular weight of 151.15 g/mol. Its IUPAC name is 2-deuteriopurine-2,6-diamine.

Molecular Properties

Compound Name2-deuteriopurine-2,6-diamine
PubChem CID175978907
Molecular FormulaC5H6N6
Molecular Weight151.15 g/mol
Exact Mass151.07
IUPAC Name2-deuteriopurine-2,6-diamine
SMILES[2H]C1(N)N=C(N)C2=NC=NC2=N1
InChIInChI=1S/C5H6N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1,5H,7H2,(H2,6,10)/i5D
InChIKeyKGPMNVHJVDETJJ-UICOGKGYSA-N
XLogP-1.52
TPSA101.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.15
LogP ≤ 5-1.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-deuteriopurine-2,6-diamine?
The IUPAC name of 2-deuteriopurine-2,6-diamine (CID 175978907) is 2-deuteriopurine-2,6-diamine.
What is the SMILES notation for 2-deuteriopurine-2,6-diamine?
The canonical SMILES for 2-deuteriopurine-2,6-diamine is [2H]C1(N)N=C(N)C2=NC=NC2=N1.
What is the InChIKey of 2-deuteriopurine-2,6-diamine?
The InChIKey is KGPMNVHJVDETJJ-UICOGKGYSA-N. The full InChI is InChI=1S/C5H6N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1,5H,7H2,(H2,6,10)/i5D.
What are the key properties of 2-deuteriopurine-2,6-diamine?
2-deuteriopurine-2,6-diamine has a molecular weight of 151.15 g/mol, XLogP of -1.52, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuteriopurine-2,6-diamine is sourced from PubChem (CID 175978907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).