2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol

C13H23N3O3 — CID 61242801

IUPAC2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol
SMILESCC(C)(C)Oc1nc(N(CCO)CCO)ccc1N
InChIInChI=1S/C13H23N3O3/c1-13(2,3)19-12-10(14)4-5-11(15-12)16(6-8-17)7-9-18/h4-5,17-18H,6-9,14H2,1-3H3
InChIKeyDXMSKXPCCJVRKL-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.63
Rot. Bonds6

About 2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol

2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol (PubChem CID 61242801) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol
PubChem CID61242801
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol
SMILESCC(C)(C)Oc1nc(N(CCO)CCO)ccc1N
InChIInChI=1S/C13H23N3O3/c1-13(2,3)19-12-10(14)4-5-11(15-12)16(6-8-17)7-9-18/h4-5,17-18H,6-9,14H2,1-3H3
InChIKeyDXMSKXPCCJVRKL-UHFFFAOYSA-N
XLogP0.63
TPSA91.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol (CID 61242801) is 2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol is CC(C)(C)Oc1nc(N(CCO)CCO)ccc1N.
What is the InChIKey of 2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol?
The InChIKey is DXMSKXPCCJVRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-13(2,3)19-12-10(14)4-5-11(15-12)16(6-8-17)7-9-18/h4-5,17-18H,6-9,14H2,1-3H3.
What are the key properties of 2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol?
2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol has a molecular weight of 269.34 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 61242801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).