(2S)-2-amino-2-(2-amino-4-pyridinyl)ethanol

C7H11N3O — CID 55274821

IUPAC(2S)-2-amino-2-(2-amino-4-pyridinyl)ethanol
SMILESNc1cc([C@H](N)CO)ccn1
InChIInChI=1S/C7H11N3O/c8-6(4-11)5-1-2-10-7(9)3-5/h1-3,6,11H,4,8H2,(H2,9,10)/t6-/m1/s1
InChIKeyFQODZBGALCWFBK-ZCFIWIBFSA-N
MW153.18 g/mol
LogP-0.34
Rot. Bonds2

About (2S)-2-amino-2-(2-amino-4-pyridinyl)ethanol

(2S)-2-amino-2-(2-amino-4-pyridinyl)ethanol (PubChem CID 55274821) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is (2S)-2-amino-2-(2-amino-4-pyridinyl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(2-amino-4-pyridinyl)ethanol
PubChem CID55274821
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name(2S)-2-amino-2-(2-amino-4-pyridinyl)ethanol
SMILESNc1cc([C@H](N)CO)ccn1
InChIInChI=1S/C7H11N3O/c8-6(4-11)5-1-2-10-7(9)3-5/h1-3,6,11H,4,8H2,(H2,9,10)/t6-/m1/s1
InChIKeyFQODZBGALCWFBK-ZCFIWIBFSA-N
XLogP-0.34
TPSA85.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-amino-3-(2-amino-4-pyridinyl)propan-1-ol
CID 55293388
4-[(1R)-1-aminopropyl]pyridin-2-amine
CID 55274349
(2S)-2-amino-2-(2-fluoro-4-pyridinyl)ethanol
CID 55262980
(2R)-2-amino-2-(2-fluoro-4-pyridinyl)ethanol
CID 130829259
2-amino-2-(2-methyl-4-pyridinyl)ethanol
CID 55292030
(2S)-2-amino-2-(2-methyl-4-pyridinyl)ethanol
CID 55264047
4-[(1R)-1-aminoethyl]pyridin-2-amine
CID 55274055
(1S,2S)-1-amino-1-(2-amino-4-pyridinyl)propan-2-ol
CID 55291915
(2S)-2-amino-2-(3-aminophenyl)ethanol
CID 66513825
(2S)-2-amino-2-(3,4-dichlorophenyl)ethanol;hydrochloride
CID 74889971
3-amino-3-[2-(hydroxymethyl)-4-pyridinyl]propan-1-ol
CID 84768737
4-hexan-3-ylpyridin-2-amine
CID 139517317

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(2-amino-4-pyridinyl)ethanol?
The IUPAC name of (2S)-2-amino-2-(2-amino-4-pyridinyl)ethanol (CID 55274821) is (2S)-2-amino-2-(2-amino-4-pyridinyl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(2-amino-4-pyridinyl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(2-amino-4-pyridinyl)ethanol is Nc1cc([C@H](N)CO)ccn1.
What is the InChIKey of (2S)-2-amino-2-(2-amino-4-pyridinyl)ethanol?
The InChIKey is FQODZBGALCWFBK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H11N3O/c8-6(4-11)5-1-2-10-7(9)3-5/h1-3,6,11H,4,8H2,(H2,9,10)/t6-/m1/s1.
What are the key properties of (2S)-2-amino-2-(2-amino-4-pyridinyl)ethanol?
(2S)-2-amino-2-(2-amino-4-pyridinyl)ethanol has a molecular weight of 153.18 g/mol, XLogP of -0.34, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(2-amino-4-pyridinyl)ethanol is sourced from PubChem (CID 55274821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).