(2S)-2-[(3-amino-2-pyridinyl)amino]propan-1-ol

C8H13N3O — CID 93081574

IUPAC(2S)-2-[(3-amino-2-pyridinyl)amino]propan-1-ol
SMILESC[C@@H](CO)Nc1ncccc1N
InChIInChI=1S/C8H13N3O/c1-6(5-12)11-8-7(9)3-2-4-10-8/h2-4,6,12H,5,9H2,1H3,(H,10,11)/t6-/m0/s1
InChIKeyBUVWONBNNNDHME-LURJTMIESA-N
MW167.21 g/mol
LogP0.46
Rot. Bonds3

About (2S)-2-[(3-amino-2-pyridinyl)amino]propan-1-ol

(2S)-2-[(3-amino-2-pyridinyl)amino]propan-1-ol (PubChem CID 93081574) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is (2S)-2-[(3-amino-2-pyridinyl)amino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(3-amino-2-pyridinyl)amino]propan-1-ol
PubChem CID93081574
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name(2S)-2-[(3-amino-2-pyridinyl)amino]propan-1-ol
SMILESC[C@@H](CO)Nc1ncccc1N
InChIInChI=1S/C8H13N3O/c1-6(5-12)11-8-7(9)3-2-4-10-8/h2-4,6,12H,5,9H2,1H3,(H,10,11)/t6-/m0/s1
InChIKeyBUVWONBNNNDHME-LURJTMIESA-N
XLogP0.46
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-amino-2-pyridinyl)amino]propan-1-ol
CID 43498948
2-N-octan-2-ylpyridine-2,3-diamine
CID 61476406
(2S)-4-[(3-amino-2-pyridinyl)amino]butan-2-ol
CID 86323908
2-[(5-amino-7-fluoroquinolin-8-yl)amino]propan-1-ol
CID 83165824
2-N-(1-pyridin-4-ylpropyl)pyridine-2,3-diamine
CID 42609065
(2S)-2-[(2-nitro-3-pyridinyl)amino]propan-1-ol
CID 126999846
(3R)-3-[(3-bromo-2-pyridinyl)amino]butan-1-ol
CID 131182775
3-[(2-amino-3-pyridinyl)amino]butan-1-ol
CID 104540669
2-(pyridin-3-ylamino)propan-1-ol
CID 166774410
2-(furo[3,2-c]pyridin-4-ylamino)propan-1-ol
CID 103729109
2-[(6-amino-5-methylpyrimidin-4-yl)amino]propan-1-ol
CID 80779997
2-N-(3-methylbut-2-enyl)pyridine-2,3-diamine
CID 106182042

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-amino-2-pyridinyl)amino]propan-1-ol?
The IUPAC name of (2S)-2-[(3-amino-2-pyridinyl)amino]propan-1-ol (CID 93081574) is (2S)-2-[(3-amino-2-pyridinyl)amino]propan-1-ol.
What is the SMILES notation for (2S)-2-[(3-amino-2-pyridinyl)amino]propan-1-ol?
The canonical SMILES for (2S)-2-[(3-amino-2-pyridinyl)amino]propan-1-ol is C[C@@H](CO)Nc1ncccc1N.
What is the InChIKey of (2S)-2-[(3-amino-2-pyridinyl)amino]propan-1-ol?
The InChIKey is BUVWONBNNNDHME-LURJTMIESA-N. The full InChI is InChI=1S/C8H13N3O/c1-6(5-12)11-8-7(9)3-2-4-10-8/h2-4,6,12H,5,9H2,1H3,(H,10,11)/t6-/m0/s1.
What are the key properties of (2S)-2-[(3-amino-2-pyridinyl)amino]propan-1-ol?
(2S)-2-[(3-amino-2-pyridinyl)amino]propan-1-ol has a molecular weight of 167.21 g/mol, XLogP of 0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-amino-2-pyridinyl)amino]propan-1-ol is sourced from PubChem (CID 93081574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).