4-[(6-amino-3,5-dichloro-2-pyridinyl)amino]butan-1-ol

C9H13Cl2N3O — CID 106847028

IUPAC4-[(6-amino-3,5-dichloro-2-pyridinyl)amino]butan-1-ol
SMILESNc1nc(NCCCCO)c(Cl)cc1Cl
InChIInChI=1S/C9H13Cl2N3O/c10-6-5-7(11)9(14-8(6)12)13-3-1-2-4-15/h5,15H,1-4H2,(H3,12,13,14)
InChIKeyZNLRJJKRVVBXIY-UHFFFAOYSA-N
MW250.13 g/mol
LogP2.15
Rot. Bonds5

About 4-[(6-amino-3,5-dichloro-2-pyridinyl)amino]butan-1-ol

4-[(6-amino-3,5-dichloro-2-pyridinyl)amino]butan-1-ol (PubChem CID 106847028) has the molecular formula C9H13Cl2N3O and a molecular weight of 250.13 g/mol. Its IUPAC name is 4-[(6-amino-3,5-dichloro-2-pyridinyl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[(6-amino-3,5-dichloro-2-pyridinyl)amino]butan-1-ol
PubChem CID106847028
Molecular FormulaC9H13Cl2N3O
Molecular Weight250.13 g/mol
Exact Mass249.04
IUPAC Name4-[(6-amino-3,5-dichloro-2-pyridinyl)amino]butan-1-ol
SMILESNc1nc(NCCCCO)c(Cl)cc1Cl
InChIInChI=1S/C9H13Cl2N3O/c10-6-5-7(11)9(14-8(6)12)13-3-1-2-4-15/h5,15H,1-4H2,(H3,12,13,14)
InChIKeyZNLRJJKRVVBXIY-UHFFFAOYSA-N
XLogP2.15
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.13
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-6-N-(4-methylpentyl)pyridine-2,6-diamine
CID 102758112
3,5-dichloro-6-N-ethylpyridine-2,6-diamine
CID 102755516
6-[(3,5-dichloro-2-pyridinyl)amino]hexan-1-ol
CID 107849091
3-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-2-methylpropane-1,2-diol
CID 102758876
3,5-dichloro-6-N-(3-morpholin-4-ylpropyl)pyridine-2,6-diamine
CID 102755807
3-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 102759699
4-[(3-amino-5-chloro-2-pyridinyl)amino]butan-1-ol
CID 106840375
2-[[(6-amino-3,5-dichloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 106258224
1-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248982
[2-[[(6-amino-3,5-dichloro-2-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 102758815
3,5-dichloro-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
CID 102756813
3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]pyridine-2,6-diamine
CID 102756174

Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-3,5-dichloro-2-pyridinyl)amino]butan-1-ol?
The IUPAC name of 4-[(6-amino-3,5-dichloro-2-pyridinyl)amino]butan-1-ol (CID 106847028) is 4-[(6-amino-3,5-dichloro-2-pyridinyl)amino]butan-1-ol.
What is the SMILES notation for 4-[(6-amino-3,5-dichloro-2-pyridinyl)amino]butan-1-ol?
The canonical SMILES for 4-[(6-amino-3,5-dichloro-2-pyridinyl)amino]butan-1-ol is Nc1nc(NCCCCO)c(Cl)cc1Cl.
What is the InChIKey of 4-[(6-amino-3,5-dichloro-2-pyridinyl)amino]butan-1-ol?
The InChIKey is ZNLRJJKRVVBXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2N3O/c10-6-5-7(11)9(14-8(6)12)13-3-1-2-4-15/h5,15H,1-4H2,(H3,12,13,14).
What are the key properties of 4-[(6-amino-3,5-dichloro-2-pyridinyl)amino]butan-1-ol?
4-[(6-amino-3,5-dichloro-2-pyridinyl)amino]butan-1-ol has a molecular weight of 250.13 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-amino-3,5-dichloro-2-pyridinyl)amino]butan-1-ol is sourced from PubChem (CID 106847028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).