4-[(3-amino-5-bromo-2-pyridinyl)amino]butan-2-ol

C9H14BrN3O — CID 64926877

IUPAC4-[(3-amino-5-bromo-2-pyridinyl)amino]butan-2-ol
SMILESCC(O)CCNc1ncc(Br)cc1N
InChIInChI=1S/C9H14BrN3O/c1-6(14)2-3-12-9-8(11)4-7(10)5-13-9/h4-6,14H,2-3,11H2,1H3,(H,12,13)
InChIKeyAGNQTBHSYZEGIX-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.61
Rot. Bonds4

About 4-[(3-amino-5-bromo-2-pyridinyl)amino]butan-2-ol

4-[(3-amino-5-bromo-2-pyridinyl)amino]butan-2-ol (PubChem CID 64926877) has the molecular formula C9H14BrN3O and a molecular weight of 260.13 g/mol. Its IUPAC name is 4-[(3-amino-5-bromo-2-pyridinyl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[(3-amino-5-bromo-2-pyridinyl)amino]butan-2-ol
PubChem CID64926877
Molecular FormulaC9H14BrN3O
Molecular Weight260.13 g/mol
Exact Mass259.03
IUPAC Name4-[(3-amino-5-bromo-2-pyridinyl)amino]butan-2-ol
SMILESCC(O)CCNc1ncc(Br)cc1N
InChIInChI=1S/C9H14BrN3O/c1-6(14)2-3-12-9-8(11)4-7(10)5-13-9/h4-6,14H,2-3,11H2,1H3,(H,12,13)
InChIKeyAGNQTBHSYZEGIX-UHFFFAOYSA-N
XLogP1.61
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-amino-5-methyl-2-pyridinyl)amino]butan-2-ol
CID 66278456
5-[(3-amino-5-bromo-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 106154564
5-bromo-2-(3-hydroxybutylamino)pyridine-3-carboxylic acid
CID 64912935
(2S)-4-[(5-bromopyrimidin-2-yl)amino]butan-2-ol
CID 131107121
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
(2S)-4-[(3-amino-2-pyridinyl)amino]butan-2-ol
CID 86323908
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
5-bromo-2-N-(2-methylbutan-2-yl)pyridine-2,3-diamine
CID 61229242
5-bromo-2-N-(2,2-dimethylbutyl)pyridine-2,3-diamine
CID 103460153
2-[(3-amino-5-bromo-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide
CID 106334551

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-5-bromo-2-pyridinyl)amino]butan-2-ol?
The IUPAC name of 4-[(3-amino-5-bromo-2-pyridinyl)amino]butan-2-ol (CID 64926877) is 4-[(3-amino-5-bromo-2-pyridinyl)amino]butan-2-ol.
What is the SMILES notation for 4-[(3-amino-5-bromo-2-pyridinyl)amino]butan-2-ol?
The canonical SMILES for 4-[(3-amino-5-bromo-2-pyridinyl)amino]butan-2-ol is CC(O)CCNc1ncc(Br)cc1N.
What is the InChIKey of 4-[(3-amino-5-bromo-2-pyridinyl)amino]butan-2-ol?
The InChIKey is AGNQTBHSYZEGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O/c1-6(14)2-3-12-9-8(11)4-7(10)5-13-9/h4-6,14H,2-3,11H2,1H3,(H,12,13).
What are the key properties of 4-[(3-amino-5-bromo-2-pyridinyl)amino]butan-2-ol?
4-[(3-amino-5-bromo-2-pyridinyl)amino]butan-2-ol has a molecular weight of 260.13 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-5-bromo-2-pyridinyl)amino]butan-2-ol is sourced from PubChem (CID 64926877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).