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

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Related Compounds

2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]propan-1-ol
CID 43498929
3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol
CID 43261814
6-(2-methylpropoxy)-2-N-(1-thiophen-2-ylethyl)pyridine-2,5-diamine
CID 43534372
2-[[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]methyl]-2-ethylbutan-1-ol
CID 106251317
2-N-(5-methylhexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 115324708
3-[[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]methyl]hexan-1-ol
CID 106113747
4-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]butanamide
CID 60863727
6-(2-methylpropoxy)-2-N-(4,4,4-trifluorobutyl)pyridine-2,5-diamine
CID 115515323
2-N-[1-(dimethylamino)propan-2-yl]-6-ethoxypyridine-2,5-diamine
CID 82945420
6-methoxy-2-N-(5-methylhexan-2-yl)pyridine-2,5-diamine
CID 63928133
2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methoxypropan-1-ol
CID 106184001
6-(2-methylpropoxy)-2-N-thiophen-3-ylpyridine-2,5-diamine
CID 66351449

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).