3-[(5-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol

C13H21N3O — CID 102859337

IUPAC3-[(5-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol
SMILESCc1nc(N(CCCO)C2CCC2)ccc1N
InChIInChI=1S/C13H21N3O/c1-10-12(14)6-7-13(15-10)16(8-3-9-17)11-4-2-5-11/h6-7,11,17H,2-5,8-9,14H2,1H3
InChIKeyLCYBVYXFQBOMPI-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.71
Rot. Bonds5

About 3-[(5-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol

3-[(5-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol (PubChem CID 102859337) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[(5-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(5-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol
PubChem CID102859337
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-[(5-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol
SMILESCc1nc(N(CCCO)C2CCC2)ccc1N
InChIInChI=1S/C13H21N3O/c1-10-12(14)6-7-13(15-10)16(8-3-9-17)11-4-2-5-11/h6-7,11,17H,2-5,8-9,14H2,1H3
InChIKeyLCYBVYXFQBOMPI-UHFFFAOYSA-N
XLogP1.71
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol
CID 102859402
3-[(2-aminopyrimidin-4-yl)-cyclobutylamino]propan-1-ol
CID 102875612
3-[cyclobutyl-(5-methyl-2-pyridinyl)amino]propan-1-ol
CID 102846717
3-[cyclobutyl(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]propan-1-ol
CID 102868709
3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-cyclobutylamino]propan-1-ol
CID 102859672
3-[[2-amino-6-(methylamino)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol
CID 102875573
3-[cyclobutyl-[5-[(1S)-1-hydroxyethyl]-2-pyridinyl]amino]propan-1-ol
CID 102864183
3-[(6-amino-2-cyclopropylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
CID 102875552
2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-cyclopropylamino]ethanol
CID 54995191
2-[(6-amino-2-pyridinyl)-cyclobutylamino]ethanol
CID 102875467
6-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carbaldehyde
CID 102863594
3-(5-amino-N-cyclobutyl-2-methylanilino)propan-1-ol
CID 102859372

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol?
The IUPAC name of 3-[(5-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol (CID 102859337) is 3-[(5-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol.
What is the SMILES notation for 3-[(5-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol?
The canonical SMILES for 3-[(5-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol is Cc1nc(N(CCCO)C2CCC2)ccc1N.
What is the InChIKey of 3-[(5-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol?
The InChIKey is LCYBVYXFQBOMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-12(14)6-7-13(15-10)16(8-3-9-17)11-4-2-5-11/h6-7,11,17H,2-5,8-9,14H2,1H3.
What are the key properties of 3-[(5-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol?
3-[(5-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol is sourced from PubChem (CID 102859337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).