(3S)-3-[(4-amino-6-chloro-2-pyridinyl)amino]butan-1-ol

C9H14ClN3O — CID 126987059

IUPAC(3S)-3-[(4-amino-6-chloro-2-pyridinyl)amino]butan-1-ol
SMILESC[C@@H](CCO)Nc1cc(N)cc(Cl)n1
InChIInChI=1S/C9H14ClN3O/c1-6(2-3-14)12-9-5-7(11)4-8(10)13-9/h4-6,14H,2-3H2,1H3,(H3,11,12,13)/t6-/m0/s1
InChIKeyWFTIYCADROULTC-LURJTMIESA-N
MW215.68 g/mol
LogP1.50
Rot. Bonds4

About (3S)-3-[(4-amino-6-chloro-2-pyridinyl)amino]butan-1-ol

(3S)-3-[(4-amino-6-chloro-2-pyridinyl)amino]butan-1-ol (PubChem CID 126987059) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is (3S)-3-[(4-amino-6-chloro-2-pyridinyl)amino]butan-1-ol.

Molecular Properties

Compound Name(3S)-3-[(4-amino-6-chloro-2-pyridinyl)amino]butan-1-ol
PubChem CID126987059
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name(3S)-3-[(4-amino-6-chloro-2-pyridinyl)amino]butan-1-ol
SMILESC[C@@H](CCO)Nc1cc(N)cc(Cl)n1
InChIInChI=1S/C9H14ClN3O/c1-6(2-3-14)12-9-5-7(11)4-8(10)13-9/h4-6,14H,2-3H2,1H3,(H3,11,12,13)/t6-/m0/s1
InChIKeyWFTIYCADROULTC-LURJTMIESA-N
XLogP1.50
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.50
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

3-[(4-amino-6-chloro-2-pyridinyl)amino]butan-1-ol
CID 104924371
(2S)-1-[(4-amino-6-chloro-2-pyridinyl)amino]propan-2-ol
CID 126987917
6-chloro-2-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2,4-diamine
CID 104918892
5-[(4-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 104925080
4-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-1-ol
CID 103888945
2-[(2,6-dichloropyrimidin-4-yl)amino]propan-1-ol
CID 90302031
6-chloro-2-N-[2-(dimethylamino)propyl]pyridine-2,4-diamine
CID 102809450
2-N-[1-(4-bromophenyl)ethyl]-6-chloropyridine-2,4-diamine
CID 104924061
6-chloro-4-N-octan-2-ylpyrimidine-2,4-diamine
CID 78971534
2-(4-hydroxybutan-2-ylamino)-6-methylpyridine-4-carbonitrile
CID 114766557
4-[(6-chloro-2-phenylpyrimidin-4-yl)amino]pentan-1-ol
CID 115914889
ethyl 4-[(2-amino-6-chloropyrimidin-4-yl)amino]pentanoate
CID 133407085

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(4-amino-6-chloro-2-pyridinyl)amino]butan-1-ol?
The IUPAC name of (3S)-3-[(4-amino-6-chloro-2-pyridinyl)amino]butan-1-ol (CID 126987059) is (3S)-3-[(4-amino-6-chloro-2-pyridinyl)amino]butan-1-ol.
What is the SMILES notation for (3S)-3-[(4-amino-6-chloro-2-pyridinyl)amino]butan-1-ol?
The canonical SMILES for (3S)-3-[(4-amino-6-chloro-2-pyridinyl)amino]butan-1-ol is C[C@@H](CCO)Nc1cc(N)cc(Cl)n1.
What is the InChIKey of (3S)-3-[(4-amino-6-chloro-2-pyridinyl)amino]butan-1-ol?
The InChIKey is WFTIYCADROULTC-LURJTMIESA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-6(2-3-14)12-9-5-7(11)4-8(10)13-9/h4-6,14H,2-3H2,1H3,(H3,11,12,13)/t6-/m0/s1.
What are the key properties of (3S)-3-[(4-amino-6-chloro-2-pyridinyl)amino]butan-1-ol?
(3S)-3-[(4-amino-6-chloro-2-pyridinyl)amino]butan-1-ol has a molecular weight of 215.68 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(4-amino-6-chloro-2-pyridinyl)amino]butan-1-ol is sourced from PubChem (CID 126987059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).