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

C11H18BrN3O — CID 79534553

IUPAC2-[(5-amino-3-bromo-2-pyridinyl)amino]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)Nc1ncc(N)cc1Br
InChIInChI=1S/C11H18BrN3O/c1-3-11(4-2,7-16)15-10-9(12)5-8(13)6-14-10/h5-6,16H,3-4,7,13H2,1-2H3,(H,14,15)
InChIKeyVCVWWENWINFSJP-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.39
Rot. Bonds5

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

2-[(5-amino-3-bromo-2-pyridinyl)amino]-2-ethylbutan-1-ol (PubChem CID 79534553) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 2-[(5-amino-3-bromo-2-pyridinyl)amino]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(5-amino-3-bromo-2-pyridinyl)amino]-2-ethylbutan-1-ol
PubChem CID79534553
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name2-[(5-amino-3-bromo-2-pyridinyl)amino]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)Nc1ncc(N)cc1Br
InChIInChI=1S/C11H18BrN3O/c1-3-11(4-2,7-16)15-10-9(12)5-8(13)6-14-10/h5-6,16H,3-4,7,13H2,1-2H3,(H,14,15)
InChIKeyVCVWWENWINFSJP-UHFFFAOYSA-N
XLogP2.39
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(5-amino-3-bromo-2-pyridinyl)amino]-2-ethylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-ethylbutan-1-ol
CID 114835868
2-[(3-bromo-5-methyl-2-pyridinyl)amino]-2-ethylpropane-1,3-diol
CID 107866243
3-bromo-2-N-(2,2-dimethylpropyl)pyridine-2,5-diamine
CID 79532457
4-[(5-amino-3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol
CID 106140711
5-amino-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carbonitrile
CID 107845850
3-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]hexan-1-ol
CID 106113765
5-bromo-4-N-(3-ethylpentan-3-yl)pyrimidine-2,4-diamine
CID 80841053
3-(5-amino-3-bromo-2-pyridinyl)-1-ethyl-1-methylurea
CID 79160095
N-(5-amino-3-bromo-2-pyridinyl)-4,4-dimethylpentanamide
CID 114212725
4-amino-2,6-dibromo-N-[3-(hydroxymethyl)pentan-3-yl]benzenesulfonamide
CID 62523961
3-bromo-2-N-(3,3-dimethylbutan-2-yl)pyridine-2,5-diamine
CID 104827426
2-[(6-aminoquinazolin-4-yl)amino]-2-ethylpropane-1,3-diol
CID 107864539

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-3-bromo-2-pyridinyl)amino]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(5-amino-3-bromo-2-pyridinyl)amino]-2-ethylbutan-1-ol (CID 79534553) is 2-[(5-amino-3-bromo-2-pyridinyl)amino]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(5-amino-3-bromo-2-pyridinyl)amino]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(5-amino-3-bromo-2-pyridinyl)amino]-2-ethylbutan-1-ol is CCC(CC)(CO)Nc1ncc(N)cc1Br.
What is the InChIKey of 2-[(5-amino-3-bromo-2-pyridinyl)amino]-2-ethylbutan-1-ol?
The InChIKey is VCVWWENWINFSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-3-11(4-2,7-16)15-10-9(12)5-8(13)6-14-10/h5-6,16H,3-4,7,13H2,1-2H3,(H,14,15).
What are the key properties of 2-[(5-amino-3-bromo-2-pyridinyl)amino]-2-ethylbutan-1-ol?
2-[(5-amino-3-bromo-2-pyridinyl)amino]-2-ethylbutan-1-ol has a molecular weight of 288.19 g/mol, XLogP of 2.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-3-bromo-2-pyridinyl)amino]-2-ethylbutan-1-ol is sourced from PubChem (CID 79534553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).