3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol

C12H19BrN2O — CID 106185086

IUPAC3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol
SMILESCc1cc(Br)cnc1NC(C)(C)C(C)(C)O
InChIInChI=1S/C12H19BrN2O/c1-8-6-9(13)7-14-10(8)15-11(2,3)12(4,5)16/h6-7,16H,1-5H3,(H,14,15)
InChIKeyVTVLCXQFVXPZKP-UHFFFAOYSA-N
MW287.20 g/mol
LogP3.11
Rot. Bonds3

About 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol

3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol (PubChem CID 106185086) has the molecular formula C12H19BrN2O and a molecular weight of 287.20 g/mol. Its IUPAC name is 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol
PubChem CID106185086
Molecular FormulaC12H19BrN2O
Molecular Weight287.20 g/mol
Exact Mass286.07
IUPAC Name3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol
SMILESCc1cc(Br)cnc1NC(C)(C)C(C)(C)O
InChIInChI=1S/C12H19BrN2O/c1-8-6-9(13)7-14-10(8)15-11(2,3)12(4,5)16/h6-7,16H,1-5H3,(H,14,15)
InChIKeyVTVLCXQFVXPZKP-UHFFFAOYSA-N
XLogP3.11
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol with MolForge

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Related Compounds

5-bromo-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-3-carboxylic acid
CID 106189991
3-[(3-bromo-5-chloro-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol
CID 106185235
3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol
CID 79718907
3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-dimethylpropanoic acid
CID 167870567
3-[(3-bromo-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol
CID 106185813
2-[(5-bromo-3-methyl-2-pyridinyl)amino]acetamide
CID 79717961
1-N-(5-bromo-3-methyl-2-pyridinyl)-2-ethylbutane-1,2-diamine
CID 115306109
3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
CID 106192330
N'-(5-bromo-3-methyl-2-pyridinyl)propane-1,3-diamine
CID 14397364
2,3-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 114157091
N-(5-bromo-3-methyl-2-pyridinyl)-3,3,3-trifluoropropanamide
CID 81489506
5-bromo-3-methyl-N-pyrrol-1-ylpyridin-2-amine
CID 79717901

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol (CID 106185086) is 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol is Cc1cc(Br)cnc1NC(C)(C)C(C)(C)O.
What is the InChIKey of 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol?
The InChIKey is VTVLCXQFVXPZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O/c1-8-6-9(13)7-14-10(8)15-11(2,3)12(4,5)16/h6-7,16H,1-5H3,(H,14,15).
What are the key properties of 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol?
3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol has a molecular weight of 287.20 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 106185086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).