2-[(5,6-diamino-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol

C9H16N4O2 — CID 79827356

IUPAC2-[(5,6-diamino-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol
SMILESNc1ccc(N(CCO)CCO)nc1N
InChIInChI=1S/C9H16N4O2/c10-7-1-2-8(12-9(7)11)13(3-5-14)4-6-15/h1-2,14-15H,3-6,10H2,(H2,11,12)
InChIKeyWIVSRNDHHCRXRR-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.96
Rot. Bonds5

About 2-[(5,6-diamino-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol

2-[(5,6-diamino-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol (PubChem CID 79827356) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-[(5,6-diamino-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5,6-diamino-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol
PubChem CID79827356
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name2-[(5,6-diamino-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol
SMILESNc1ccc(N(CCO)CCO)nc1N
InChIInChI=1S/C9H16N4O2/c10-7-1-2-8(12-9(7)11)13(3-5-14)4-6-15/h1-2,14-15H,3-6,10H2,(H2,11,12)
InChIKeyWIVSRNDHHCRXRR-UHFFFAOYSA-N
XLogP-0.96
TPSA108.63 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-diamino-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(5,6-diamino-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol (CID 79827356) is 2-[(5,6-diamino-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(5,6-diamino-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(5,6-diamino-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol is Nc1ccc(N(CCO)CCO)nc1N.
What is the InChIKey of 2-[(5,6-diamino-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol?
The InChIKey is WIVSRNDHHCRXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c10-7-1-2-8(12-9(7)11)13(3-5-14)4-6-15/h1-2,14-15H,3-6,10H2,(H2,11,12).
What are the key properties of 2-[(5,6-diamino-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol?
2-[(5,6-diamino-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol has a molecular weight of 212.25 g/mol, XLogP of -0.96, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-diamino-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 79827356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).