[1-[5-amino-6-[2-aminoethyl(methyl)amino]-2-pyridinyl]pyrrolidin-2-yl]methanol

C13H23N5O — CID 22598847

IUPAC[1-[5-amino-6-[2-aminoethyl(methyl)amino]-2-pyridinyl]pyrrolidin-2-yl]methanol
SMILESCN(CCN)c1nc(N2CCCC2CO)ccc1N
InChIInChI=1S/C13H23N5O/c1-17(8-6-14)13-11(15)4-5-12(16-13)18-7-2-3-10(18)9-19/h4-5,10,19H,2-3,6-9,14-15H2,1H3
InChIKeyMIGAKUUILOSCHI-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.02
Rot. Bonds5

About [1-[5-amino-6-[2-aminoethyl(methyl)amino]-2-pyridinyl]pyrrolidin-2-yl]methanol

[1-[5-amino-6-[2-aminoethyl(methyl)amino]-2-pyridinyl]pyrrolidin-2-yl]methanol (PubChem CID 22598847) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is [1-[5-amino-6-[2-aminoethyl(methyl)amino]-2-pyridinyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[5-amino-6-[2-aminoethyl(methyl)amino]-2-pyridinyl]pyrrolidin-2-yl]methanol
PubChem CID22598847
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name[1-[5-amino-6-[2-aminoethyl(methyl)amino]-2-pyridinyl]pyrrolidin-2-yl]methanol
SMILESCN(CCN)c1nc(N2CCCC2CO)ccc1N
InChIInChI=1S/C13H23N5O/c1-17(8-6-14)13-11(15)4-5-12(16-13)18-7-2-3-10(18)9-19/h4-5,10,19H,2-3,6-9,14-15H2,1H3
InChIKeyMIGAKUUILOSCHI-UHFFFAOYSA-N
XLogP0.02
TPSA91.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[5-amino-6-[2-aminoethyl(methyl)amino]-2-pyridinyl]-3-hydroxypyrrolidin-2-yl]formamide
CID 87385411
[1-(5-amino-6-methoxy-2-pyridinyl)azepan-2-yl]methanol
CID 116633953
[1-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80794639
[1-(6-aminopyrazin-2-yl)pyrrolidin-2-yl]methanol
CID 79033972
[1-(5-fluoro-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 61409466
[1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80794344
[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 62770947
N-[1-[5-amino-6-(dimethylamino)-2-pyridinyl]pyrrolidin-2-yl]-N-methylacetamide
CID 67400207
1-[1-(5,6-diamino-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol
CID 112747946
[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-2-yl]methanol
CID 112726024
[(2S)-1-(5-methoxy-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 139294140
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethoxypyridin-3-amine
CID 62885391

Frequently Asked Questions

What is the IUPAC name of [1-[5-amino-6-[2-aminoethyl(methyl)amino]-2-pyridinyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[5-amino-6-[2-aminoethyl(methyl)amino]-2-pyridinyl]pyrrolidin-2-yl]methanol (CID 22598847) is [1-[5-amino-6-[2-aminoethyl(methyl)amino]-2-pyridinyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[5-amino-6-[2-aminoethyl(methyl)amino]-2-pyridinyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[5-amino-6-[2-aminoethyl(methyl)amino]-2-pyridinyl]pyrrolidin-2-yl]methanol is CN(CCN)c1nc(N2CCCC2CO)ccc1N.
What is the InChIKey of [1-[5-amino-6-[2-aminoethyl(methyl)amino]-2-pyridinyl]pyrrolidin-2-yl]methanol?
The InChIKey is MIGAKUUILOSCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-17(8-6-14)13-11(15)4-5-12(16-13)18-7-2-3-10(18)9-19/h4-5,10,19H,2-3,6-9,14-15H2,1H3.
What are the key properties of [1-[5-amino-6-[2-aminoethyl(methyl)amino]-2-pyridinyl]pyrrolidin-2-yl]methanol?
[1-[5-amino-6-[2-aminoethyl(methyl)amino]-2-pyridinyl]pyrrolidin-2-yl]methanol has a molecular weight of 265.36 g/mol, XLogP of 0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-amino-6-[2-aminoethyl(methyl)amino]-2-pyridinyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 22598847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).