2-[(5-amino-6-propoxy-2-pyridinyl)amino]-1-cyclopropylethanol

C13H21N3O2 — CID 55172554

IUPAC2-[(5-amino-6-propoxy-2-pyridinyl)amino]-1-cyclopropylethanol
SMILESCCCOc1nc(NCC(O)C2CC2)ccc1N
InChIInChI=1S/C13H21N3O2/c1-2-7-18-13-10(14)5-6-12(16-13)15-8-11(17)9-3-4-9/h5-6,9,11,17H,2-4,7-8,14H2,1H3,(H,15,16)
InChIKeyXTBQLBUUSAYSAL-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.64
Rot. Bonds7

About 2-[(5-amino-6-propoxy-2-pyridinyl)amino]-1-cyclopropylethanol

2-[(5-amino-6-propoxy-2-pyridinyl)amino]-1-cyclopropylethanol (PubChem CID 55172554) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[(5-amino-6-propoxy-2-pyridinyl)amino]-1-cyclopropylethanol.

Molecular Properties

Compound Name2-[(5-amino-6-propoxy-2-pyridinyl)amino]-1-cyclopropylethanol
PubChem CID55172554
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[(5-amino-6-propoxy-2-pyridinyl)amino]-1-cyclopropylethanol
SMILESCCCOc1nc(NCC(O)C2CC2)ccc1N
InChIInChI=1S/C13H21N3O2/c1-2-7-18-13-10(14)5-6-12(16-13)15-8-11(17)9-3-4-9/h5-6,9,11,17H,2-4,7-8,14H2,1H3,(H,15,16)
InChIKeyXTBQLBUUSAYSAL-UHFFFAOYSA-N
XLogP1.64
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(Propan-2-yloxy)pyridin-2-yl]piperazine
CID 13795743
1-(6-Isobutoxy-2-pyridyl)piperazine
CID 13795744
1-[6-(Cyclopropylmethoxy)pyridin-2-yl]piperazine
CID 13795745
2-Methoxy-6-(morpholin-4-yl)pyridin-3-amine
CID 12152132
N,N-dimethyl-2-[(6-piperazin-1-yl-2-pyridinyl)oxy]ethanamine
CID 13795747
N',N'-dimethyl-N-[6-(2-methylpropoxy)-2-pyridinyl]ethane-1,2-diamine
CID 13795751
6-methoxy-N2,N2-dimethylpyridine-2,5-diamine
CID 43260741
N2-(2,2-Dimethyl-1,3-dioxan-5-yl)-6-methoxypyridine-2,3-diamine
CID 58001800
2-N-[4-fluoro-2-(methylamino)butyl]-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine
CID 141419194
6-[4-(Dimethylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 141419199
5-N-[2-(dimethylamino)ethyl]-5-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine
CID 141419206
N-[2-[[5-amino-6-(2,2,2-trifluoroethoxy)pyridin-2-yl]-methylamino]ethyl]-N-methylacetamide
CID 141419207

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-propoxy-2-pyridinyl)amino]-1-cyclopropylethanol?
The IUPAC name of 2-[(5-amino-6-propoxy-2-pyridinyl)amino]-1-cyclopropylethanol (CID 55172554) is 2-[(5-amino-6-propoxy-2-pyridinyl)amino]-1-cyclopropylethanol.
What is the SMILES notation for 2-[(5-amino-6-propoxy-2-pyridinyl)amino]-1-cyclopropylethanol?
The canonical SMILES for 2-[(5-amino-6-propoxy-2-pyridinyl)amino]-1-cyclopropylethanol is CCCOc1nc(NCC(O)C2CC2)ccc1N.
What is the InChIKey of 2-[(5-amino-6-propoxy-2-pyridinyl)amino]-1-cyclopropylethanol?
The InChIKey is XTBQLBUUSAYSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-7-18-13-10(14)5-6-12(16-13)15-8-11(17)9-3-4-9/h5-6,9,11,17H,2-4,7-8,14H2,1H3,(H,15,16).
What are the key properties of 2-[(5-amino-6-propoxy-2-pyridinyl)amino]-1-cyclopropylethanol?
2-[(5-amino-6-propoxy-2-pyridinyl)amino]-1-cyclopropylethanol has a molecular weight of 251.33 g/mol, XLogP of 1.64, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-propoxy-2-pyridinyl)amino]-1-cyclopropylethanol is sourced from PubChem (CID 55172554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).