(1S,2S)-1-amino-1-(2-amino-4-pyridinyl)propan-2-ol

C8H13N3O — CID 55291915

IUPAC(1S,2S)-1-amino-1-(2-amino-4-pyridinyl)propan-2-ol
SMILESC[C@H](O)[C@@H](N)c1ccnc(N)c1
InChIInChI=1S/C8H13N3O/c1-5(12)8(10)6-2-3-11-7(9)4-6/h2-5,8,12H,10H2,1H3,(H2,9,11)/t5-,8+/m0/s1
InChIKeyBBTRWCGVLWFAOC-YLWLKBPMSA-N
MW167.21 g/mol
LogP0.04
Rot. Bonds2

About (1S,2S)-1-amino-1-(2-amino-4-pyridinyl)propan-2-ol

(1S,2S)-1-amino-1-(2-amino-4-pyridinyl)propan-2-ol (PubChem CID 55291915) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is (1S,2S)-1-amino-1-(2-amino-4-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name(1S,2S)-1-amino-1-(2-amino-4-pyridinyl)propan-2-ol
PubChem CID55291915
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name(1S,2S)-1-amino-1-(2-amino-4-pyridinyl)propan-2-ol
SMILESC[C@H](O)[C@@H](N)c1ccnc(N)c1
InChIInChI=1S/C8H13N3O/c1-5(12)8(10)6-2-3-11-7(9)4-6/h2-5,8,12H,10H2,1H3,(H2,9,11)/t5-,8+/m0/s1
InChIKeyBBTRWCGVLWFAOC-YLWLKBPMSA-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-(2-methyl-4-pyridinyl)propan-2-ol
CID 55295314
4-[(1R)-1-aminoethyl]pyridin-2-amine
CID 55274055
(1S,2R)-1-amino-1-(2-bromo-4-pyridinyl)propan-2-ol
CID 130973088
(2S)-2-amino-2-(2-amino-4-pyridinyl)ethanol
CID 55274821
4-[(1R)-1-aminopropyl]pyridin-2-amine
CID 55274349
(3R)-3-amino-3-(2-amino-4-pyridinyl)propan-1-ol
CID 55293388
4-[(1R,2S)-1-amino-2-hydroxypropyl]benzene-1,2-diol
CID 55295292
4-[(1R,2R)-1-amino-2-hydroxypropyl]benzene-1,2-diol
CID 131007796
methane;2-methyl-5-propan-2-ylpyrimidine;4-propan-2-ylpyridin-2-amine
CID 158182176
(1R,2S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol
CID 55272052
(1S,2S)-1-amino-1-(5-amino-3-pyridinyl)propan-2-ol
CID 55291623
(1S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol
CID 131002091

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-amino-1-(2-amino-4-pyridinyl)propan-2-ol?
The IUPAC name of (1S,2S)-1-amino-1-(2-amino-4-pyridinyl)propan-2-ol (CID 55291915) is (1S,2S)-1-amino-1-(2-amino-4-pyridinyl)propan-2-ol.
What is the SMILES notation for (1S,2S)-1-amino-1-(2-amino-4-pyridinyl)propan-2-ol?
The canonical SMILES for (1S,2S)-1-amino-1-(2-amino-4-pyridinyl)propan-2-ol is C[C@H](O)[C@@H](N)c1ccnc(N)c1.
What is the InChIKey of (1S,2S)-1-amino-1-(2-amino-4-pyridinyl)propan-2-ol?
The InChIKey is BBTRWCGVLWFAOC-YLWLKBPMSA-N. The full InChI is InChI=1S/C8H13N3O/c1-5(12)8(10)6-2-3-11-7(9)4-6/h2-5,8,12H,10H2,1H3,(H2,9,11)/t5-,8+/m0/s1.
What are the key properties of (1S,2S)-1-amino-1-(2-amino-4-pyridinyl)propan-2-ol?
(1S,2S)-1-amino-1-(2-amino-4-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,2S)-1-amino-1-(2-amino-4-pyridinyl)propan-2-ol is sourced from PubChem (CID 55291915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).