(1S,2R)-1-amino-1-(6-amino-2-pyridinyl)propan-2-ol

C8H13N3O — CID 130815832

IUPAC(1S,2R)-1-amino-1-(6-amino-2-pyridinyl)propan-2-ol
SMILESC[C@@H](O)[C@@H](N)c1cccc(N)n1
InChIInChI=1S/C8H13N3O/c1-5(12)8(10)6-3-2-4-7(9)11-6/h2-5,8,12H,10H2,1H3,(H2,9,11)/t5-,8-/m1/s1
InChIKeyNXKNCYTWJPJOQQ-SVGQVSJJSA-N
MW167.21 g/mol
LogP0.04
Rot. Bonds2

About (1S,2R)-1-amino-1-(6-amino-2-pyridinyl)propan-2-ol

(1S,2R)-1-amino-1-(6-amino-2-pyridinyl)propan-2-ol (PubChem CID 130815832) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(6-amino-2-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(6-amino-2-pyridinyl)propan-2-ol
PubChem CID130815832
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name(1S,2R)-1-amino-1-(6-amino-2-pyridinyl)propan-2-ol
SMILESC[C@@H](O)[C@@H](N)c1cccc(N)n1
InChIInChI=1S/C8H13N3O/c1-5(12)8(10)6-3-2-4-7(9)11-6/h2-5,8,12H,10H2,1H3,(H2,9,11)/t5-,8-/m1/s1
InChIKeyNXKNCYTWJPJOQQ-SVGQVSJJSA-N
XLogP0.04
TPSA85.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2S)-1-amino-1-(6-chloro-2-pyridinyl)propan-2-ol
CID 55271430
2-(6-amino-2-pyridinyl)propanoic acid
CID 70192155
3-amino-3-(6-amino-2-pyridinyl)propan-1-ol
CID 55292973
(1S)-1-(6-amino-2-pyridinyl)-2-(tert-butylamino)ethanol
CID 155162177
1-amino-1-(5-amino-2-pyridinyl)propan-2-ol
CID 55292549
4-(6-amino-2-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900419
3-[(6-amino-2-pyridinyl)methylsulfanyl]butan-2-ol
CID 107771933
6-[(2R)-1-(tert-butylamino)propan-2-yl]pyridin-2-amine
CID 155461852
(1R,2S)-1-(6-bromo-2-pyridinyl)propane-1,2-diamine
CID 130806151
1-amino-1-(1,2-oxazol-3-yl)propan-2-ol
CID 82417981
(1S,2S)-1-amino-1-(2,3-diaminophenyl)propan-2-ol
CID 55294728
(1R,2S)-1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 124505318

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(6-amino-2-pyridinyl)propan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-(6-amino-2-pyridinyl)propan-2-ol (CID 130815832) is (1S,2R)-1-amino-1-(6-amino-2-pyridinyl)propan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-(6-amino-2-pyridinyl)propan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-(6-amino-2-pyridinyl)propan-2-ol is C[C@@H](O)[C@@H](N)c1cccc(N)n1.
What is the InChIKey of (1S,2R)-1-amino-1-(6-amino-2-pyridinyl)propan-2-ol?
The InChIKey is NXKNCYTWJPJOQQ-SVGQVSJJSA-N. The full InChI is InChI=1S/C8H13N3O/c1-5(12)8(10)6-3-2-4-7(9)11-6/h2-5,8,12H,10H2,1H3,(H2,9,11)/t5-,8-/m1/s1.
What are the key properties of (1S,2R)-1-amino-1-(6-amino-2-pyridinyl)propan-2-ol?
(1S,2R)-1-amino-1-(6-amino-2-pyridinyl)propan-2-ol has a molecular weight of 167.21 g/mol, XLogP of 0.04, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(6-amino-2-pyridinyl)propan-2-ol is sourced from PubChem (CID 130815832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).