(2S)-1-[(4-amino-6-chloro-2-pyridinyl)amino]propan-2-ol

C8H12ClN3O — CID 126987917

IUPAC(2S)-1-[(4-amino-6-chloro-2-pyridinyl)amino]propan-2-ol
SMILESC[C@H](O)CNc1cc(N)cc(Cl)n1
InChIInChI=1S/C8H12ClN3O/c1-5(13)4-11-8-3-6(10)2-7(9)12-8/h2-3,5,13H,4H2,1H3,(H3,10,11,12)/t5-/m0/s1
InChIKeyHSEFYAXUQYQVLS-YFKPBYRVSA-N
MW201.66 g/mol
LogP1.11
Rot. Bonds3

About (2S)-1-[(4-amino-6-chloro-2-pyridinyl)amino]propan-2-ol

(2S)-1-[(4-amino-6-chloro-2-pyridinyl)amino]propan-2-ol (PubChem CID 126987917) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is (2S)-1-[(4-amino-6-chloro-2-pyridinyl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(4-amino-6-chloro-2-pyridinyl)amino]propan-2-ol
PubChem CID126987917
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name(2S)-1-[(4-amino-6-chloro-2-pyridinyl)amino]propan-2-ol
SMILESC[C@H](O)CNc1cc(N)cc(Cl)n1
InChIInChI=1S/C8H12ClN3O/c1-5(13)4-11-8-3-6(10)2-7(9)12-8/h2-3,5,13H,4H2,1H3,(H3,10,11,12)/t5-/m0/s1
InChIKeyHSEFYAXUQYQVLS-YFKPBYRVSA-N
XLogP1.11
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-N-[2-(dimethylamino)propyl]pyridine-2,4-diamine
CID 102809450
(2R)-1-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-ol
CID 90456586
2-[(4-amino-6-chloro-2-pyridinyl)amino]-1-cyclopropylethanol
CID 104924180
5-[(4-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 104925080
(3S)-3-[(4-amino-6-chloro-2-pyridinyl)amino]butan-1-ol
CID 126987059
3-[(4-amino-6-chloro-2-pyridinyl)amino]butan-1-ol
CID 104924371
2-N-(2-bromoprop-2-enyl)-6-chloropyridine-2,4-diamine
CID 104924053
6-chloro-2-N-(cyclopropylmethyl)pyridine-2,4-diamine
CID 104918835
1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 114564072
6-chloro-2-N-(4-methoxybutyl)pyridine-2,4-diamine
CID 104923902
6-chloro-2-N-(3-methylsulfonylpropyl)pyridine-2,4-diamine
CID 102809402
2-chloro-6-(2-methylpropylamino)pyridine-4-carboxamide
CID 87531702

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(4-amino-6-chloro-2-pyridinyl)amino]propan-2-ol?
The IUPAC name of (2S)-1-[(4-amino-6-chloro-2-pyridinyl)amino]propan-2-ol (CID 126987917) is (2S)-1-[(4-amino-6-chloro-2-pyridinyl)amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[(4-amino-6-chloro-2-pyridinyl)amino]propan-2-ol?
The canonical SMILES for (2S)-1-[(4-amino-6-chloro-2-pyridinyl)amino]propan-2-ol is C[C@H](O)CNc1cc(N)cc(Cl)n1.
What is the InChIKey of (2S)-1-[(4-amino-6-chloro-2-pyridinyl)amino]propan-2-ol?
The InChIKey is HSEFYAXUQYQVLS-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-5(13)4-11-8-3-6(10)2-7(9)12-8/h2-3,5,13H,4H2,1H3,(H3,10,11,12)/t5-/m0/s1.
What are the key properties of (2S)-1-[(4-amino-6-chloro-2-pyridinyl)amino]propan-2-ol?
(2S)-1-[(4-amino-6-chloro-2-pyridinyl)amino]propan-2-ol has a molecular weight of 201.66 g/mol, XLogP of 1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(4-amino-6-chloro-2-pyridinyl)amino]propan-2-ol is sourced from PubChem (CID 126987917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).