5-[(3-amino-5-bromo-2-pyridinyl)amino]-2-methylpentan-1-ol

C11H18BrN3O — CID 106154564

IUPAC5-[(3-amino-5-bromo-2-pyridinyl)amino]-2-methylpentan-1-ol
SMILESCC(CO)CCCNc1ncc(Br)cc1N
InChIInChI=1S/C11H18BrN3O/c1-8(7-16)3-2-4-14-11-10(13)5-9(12)6-15-11/h5-6,8,16H,2-4,7,13H2,1H3,(H,14,15)
InChIKeyCSDTYWHCMFRGON-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.25
Rot. Bonds6

About 5-[(3-amino-5-bromo-2-pyridinyl)amino]-2-methylpentan-1-ol

5-[(3-amino-5-bromo-2-pyridinyl)amino]-2-methylpentan-1-ol (PubChem CID 106154564) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 5-[(3-amino-5-bromo-2-pyridinyl)amino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[(3-amino-5-bromo-2-pyridinyl)amino]-2-methylpentan-1-ol
PubChem CID106154564
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name5-[(3-amino-5-bromo-2-pyridinyl)amino]-2-methylpentan-1-ol
SMILESCC(CO)CCCNc1ncc(Br)cc1N
InChIInChI=1S/C11H18BrN3O/c1-8(7-16)3-2-4-14-11-10(13)5-9(12)6-15-11/h5-6,8,16H,2-4,7,13H2,1H3,(H,14,15)
InChIKeyCSDTYWHCMFRGON-UHFFFAOYSA-N
XLogP2.25
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.25
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

4-[(3-amino-5-bromo-2-pyridinyl)amino]butan-2-ol
CID 64926877
5-[(3-amino-5-bromo-4-pyridinyl)amino]-2-methylpentan-1-ol
CID 106154442
2-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methoxypropan-1-ol
CID 106184186
1-N-(5-bromo-3-methyl-2-pyridinyl)pentane-1,4-diamine
CID 106127370
tert-butyl 4-[(3-amino-5-bromo-2-pyridinyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 66905116
5-bromo-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
CID 63225930
5-[(6-aminopyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162981
N-[2-[(3-amino-5-bromo-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 61228086
3-[[(3-amino-5-bromo-2-pyridinyl)amino]methyl]pentan-3-ol
CID 65102801
2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-tert-butylacetamide
CID 113293132
5-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 106154628
5-bromo-2-N-(2-methylbutan-2-yl)pyridine-2,3-diamine
CID 61229242

Frequently Asked Questions

What is the IUPAC name of 5-[(3-amino-5-bromo-2-pyridinyl)amino]-2-methylpentan-1-ol?
The IUPAC name of 5-[(3-amino-5-bromo-2-pyridinyl)amino]-2-methylpentan-1-ol (CID 106154564) is 5-[(3-amino-5-bromo-2-pyridinyl)amino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[(3-amino-5-bromo-2-pyridinyl)amino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[(3-amino-5-bromo-2-pyridinyl)amino]-2-methylpentan-1-ol is CC(CO)CCCNc1ncc(Br)cc1N.
What is the InChIKey of 5-[(3-amino-5-bromo-2-pyridinyl)amino]-2-methylpentan-1-ol?
The InChIKey is CSDTYWHCMFRGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-8(7-16)3-2-4-14-11-10(13)5-9(12)6-15-11/h5-6,8,16H,2-4,7,13H2,1H3,(H,14,15).
What are the key properties of 5-[(3-amino-5-bromo-2-pyridinyl)amino]-2-methylpentan-1-ol?
5-[(3-amino-5-bromo-2-pyridinyl)amino]-2-methylpentan-1-ol has a molecular weight of 288.19 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-amino-5-bromo-2-pyridinyl)amino]-2-methylpentan-1-ol is sourced from PubChem (CID 106154564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).