2-[[5-(aminomethyl)-6-(2-hydroxyethylamino)-4-methyl-2-pyridinyl]amino]ethanol

C11H20N4O2 — CID 68837273

IUPAC2-[[5-(aminomethyl)-6-(2-hydroxyethylamino)-4-methyl-2-pyridinyl]amino]ethanol
SMILESCc1cc(NCCO)nc(NCCO)c1CN
InChIInChI=1S/C11H20N4O2/c1-8-6-10(13-2-4-16)15-11(9(8)7-12)14-3-5-17/h6,16-17H,2-5,7,12H2,1H3,(H2,13,14,15)
InChIKeyDOIOBRABEOVFEO-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.34
Rot. Bonds7

About 2-[[5-(aminomethyl)-6-(2-hydroxyethylamino)-4-methyl-2-pyridinyl]amino]ethanol

2-[[5-(aminomethyl)-6-(2-hydroxyethylamino)-4-methyl-2-pyridinyl]amino]ethanol (PubChem CID 68837273) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[[5-(aminomethyl)-6-(2-hydroxyethylamino)-4-methyl-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[[5-(aminomethyl)-6-(2-hydroxyethylamino)-4-methyl-2-pyridinyl]amino]ethanol
PubChem CID68837273
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name2-[[5-(aminomethyl)-6-(2-hydroxyethylamino)-4-methyl-2-pyridinyl]amino]ethanol
SMILESCc1cc(NCCO)nc(NCCO)c1CN
InChIInChI=1S/C11H20N4O2/c1-8-6-10(13-2-4-16)15-11(9(8)7-12)14-3-5-17/h6,16-17H,2-5,7,12H2,1H3,(H2,13,14,15)
InChIKeyDOIOBRABEOVFEO-UHFFFAOYSA-N
XLogP-0.34
TPSA103.43 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(aminomethyl)-6-(2-hydroxyethylamino)-4-methyl-2-pyridinyl]amino]ethanol?
The IUPAC name of 2-[[5-(aminomethyl)-6-(2-hydroxyethylamino)-4-methyl-2-pyridinyl]amino]ethanol (CID 68837273) is 2-[[5-(aminomethyl)-6-(2-hydroxyethylamino)-4-methyl-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[[5-(aminomethyl)-6-(2-hydroxyethylamino)-4-methyl-2-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[[5-(aminomethyl)-6-(2-hydroxyethylamino)-4-methyl-2-pyridinyl]amino]ethanol is Cc1cc(NCCO)nc(NCCO)c1CN.
What is the InChIKey of 2-[[5-(aminomethyl)-6-(2-hydroxyethylamino)-4-methyl-2-pyridinyl]amino]ethanol?
The InChIKey is DOIOBRABEOVFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-8-6-10(13-2-4-16)15-11(9(8)7-12)14-3-5-17/h6,16-17H,2-5,7,12H2,1H3,(H2,13,14,15).
What are the key properties of 2-[[5-(aminomethyl)-6-(2-hydroxyethylamino)-4-methyl-2-pyridinyl]amino]ethanol?
2-[[5-(aminomethyl)-6-(2-hydroxyethylamino)-4-methyl-2-pyridinyl]amino]ethanol has a molecular weight of 240.31 g/mol, XLogP of -0.34, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(aminomethyl)-6-(2-hydroxyethylamino)-4-methyl-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 68837273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).