2-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol

C12H21N3O2 — CID 43498930

IUPAC2-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol
SMILESCC(C)COc1nc(NC(C)CO)ccc1N
InChIInChI=1S/C12H21N3O2/c1-8(2)7-17-12-10(13)4-5-11(15-12)14-9(3)6-16/h4-5,8-9,16H,6-7,13H2,1-3H3,(H,14,15)
InChIKeyQFBHBUVNCFJZKM-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.49
Rot. Bonds6

About 2-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol

2-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol (PubChem CID 43498930) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol
PubChem CID43498930
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol
SMILESCC(C)COc1nc(NC(C)CO)ccc1N
InChIInChI=1S/C12H21N3O2/c1-8(2)7-17-12-10(13)4-5-11(15-12)14-9(3)6-16/h4-5,8-9,16H,6-7,13H2,1-3H3,(H,14,15)
InChIKeyQFBHBUVNCFJZKM-UHFFFAOYSA-N
XLogP1.49
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol 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-methylpropoxy)-2-pyridinyl]amino]propan-1-ol?
The IUPAC name of 2-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol (CID 43498930) is 2-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol.
What is the SMILES notation for 2-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol?
The canonical SMILES for 2-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol is CC(C)COc1nc(NC(C)CO)ccc1N.
What is the InChIKey of 2-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol?
The InChIKey is QFBHBUVNCFJZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8(2)7-17-12-10(13)4-5-11(15-12)14-9(3)6-16/h4-5,8-9,16H,6-7,13H2,1-3H3,(H,14,15).
What are the key properties of 2-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol?
2-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol has a molecular weight of 239.32 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol is sourced from PubChem (CID 43498930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).