2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-methylbutan-1-ol

C11H18BrN3O — CID 104506915

IUPAC2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)Nc1ncc(N)c(C)c1Br
InChIInChI=1S/C11H18BrN3O/c1-4-11(3,6-16)15-10-9(12)7(2)8(13)5-14-10/h5,16H,4,6,13H2,1-3H3,(H,14,15)
InChIKeyFKMNTFZMISBHRJ-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.31
Rot. Bonds4

About 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-methylbutan-1-ol

2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-methylbutan-1-ol (PubChem CID 104506915) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-methylbutan-1-ol
PubChem CID104506915
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)Nc1ncc(N)c(C)c1Br
InChIInChI=1S/C11H18BrN3O/c1-4-11(3,6-16)15-10-9(12)7(2)8(13)5-14-10/h5,16H,4,6,13H2,1-3H3,(H,14,15)
InChIKeyFKMNTFZMISBHRJ-UHFFFAOYSA-N
XLogP2.31
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-methyl-2-N-(2-methylbutan-2-yl)pyridine-2,5-diamine
CID 104506284
3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine
CID 104506234
2-[(5-bromo-3-ethynyl-2-pyridinyl)amino]-2-methylbutan-1-ol
CID 155162232
3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol
CID 114176742
3-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]pentan-1-ol
CID 104507039
3-bromo-4-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,5-diamine
CID 104506832
2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]ethoxy]ethanol
CID 104506759
3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-hydroxypropanamide
CID 106166830
1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106244071
2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 79073119
3-bromo-4-methyl-N-(3-methylpentan-3-yl)pyridin-2-amine
CID 106329769
2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-propylacetamide
CID 113420397

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-methylbutan-1-ol?
The IUPAC name of 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-methylbutan-1-ol (CID 104506915) is 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-methylbutan-1-ol?
The canonical SMILES for 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-methylbutan-1-ol is CCC(C)(CO)Nc1ncc(N)c(C)c1Br.
What is the InChIKey of 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-methylbutan-1-ol?
The InChIKey is FKMNTFZMISBHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-4-11(3,6-16)15-10-9(12)7(2)8(13)5-14-10/h5,16H,4,6,13H2,1-3H3,(H,14,15).
What are the key properties of 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-methylbutan-1-ol?
2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-methylbutan-1-ol has a molecular weight of 288.19 g/mol, XLogP of 2.31, 4 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-4-methyl-2-pyridinyl)amino]-2-methylbutan-1-ol is sourced from PubChem (CID 104506915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).