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

C11H17BrN2O — CID 105367163

IUPAC1-[(3-bromo-5-methyl-2-pyridinyl)amino]-3-methylbutan-2-ol
SMILESCc1cnc(NCC(O)C(C)C)c(Br)c1
InChIInChI=1S/C11H17BrN2O/c1-7(2)10(15)6-14-11-9(12)4-8(3)5-13-11/h4-5,7,10,15H,6H2,1-3H3,(H,13,14)
InChIKeyAENGNTMMDFGPQZ-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.58
Rot. Bonds4

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

1-[(3-bromo-5-methyl-2-pyridinyl)amino]-3-methylbutan-2-ol (PubChem CID 105367163) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is 1-[(3-bromo-5-methyl-2-pyridinyl)amino]-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(3-bromo-5-methyl-2-pyridinyl)amino]-3-methylbutan-2-ol
PubChem CID105367163
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC Name1-[(3-bromo-5-methyl-2-pyridinyl)amino]-3-methylbutan-2-ol
SMILESCc1cnc(NCC(O)C(C)C)c(Br)c1
InChIInChI=1S/C11H17BrN2O/c1-7(2)10(15)6-14-11-9(12)4-8(3)5-13-11/h4-5,7,10,15H,6H2,1-3H3,(H,13,14)
InChIKeyAENGNTMMDFGPQZ-UHFFFAOYSA-N
XLogP2.58
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3-bromo-5-methyl-2-pyridinyl)-2-N-methylpropane-1,2-diamine
CID 130505489
2-[(3-bromo-5-methyl-2-pyridinyl)amino]-1-phenylethanol
CID 105366704
3-bromo-5-methyl-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 105366766
2-[(3-bromo-5-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 114188611
3-bromo-N-(2-chloro-2-cyclopropylethyl)-5-methylpyridin-2-amine
CID 105368724
3-bromo-N-(2-bromoprop-2-enyl)-5-methylpyridin-2-amine
CID 105367126
3-bromo-N-(2-chloroprop-2-enyl)-5-methylpyridin-2-amine
CID 105367125
3-bromo-N-butyl-5-methylpyridin-2-amine
CID 82477943
3-bromo-N-(3-chloropropyl)-5-methylpyridin-2-amine
CID 105368698
3-bromo-N-(2,2-dimethylbutyl)-5-methylpyridin-2-amine
CID 103462640
4-[(3-bromo-5-methyl-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol
CID 106144830
2-[(3-bromo-5-methyl-2-pyridinyl)amino]-N-tert-butylacetamide
CID 105367068

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-5-methyl-2-pyridinyl)amino]-3-methylbutan-2-ol?
The IUPAC name of 1-[(3-bromo-5-methyl-2-pyridinyl)amino]-3-methylbutan-2-ol (CID 105367163) is 1-[(3-bromo-5-methyl-2-pyridinyl)amino]-3-methylbutan-2-ol.
What is the SMILES notation for 1-[(3-bromo-5-methyl-2-pyridinyl)amino]-3-methylbutan-2-ol?
The canonical SMILES for 1-[(3-bromo-5-methyl-2-pyridinyl)amino]-3-methylbutan-2-ol is Cc1cnc(NCC(O)C(C)C)c(Br)c1.
What is the InChIKey of 1-[(3-bromo-5-methyl-2-pyridinyl)amino]-3-methylbutan-2-ol?
The InChIKey is AENGNTMMDFGPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c1-7(2)10(15)6-14-11-9(12)4-8(3)5-13-11/h4-5,7,10,15H,6H2,1-3H3,(H,13,14).
What are the key properties of 1-[(3-bromo-5-methyl-2-pyridinyl)amino]-3-methylbutan-2-ol?
1-[(3-bromo-5-methyl-2-pyridinyl)amino]-3-methylbutan-2-ol has a molecular weight of 273.17 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-5-methyl-2-pyridinyl)amino]-3-methylbutan-2-ol is sourced from PubChem (CID 105367163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).