5-bromo-3-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine

C11H15BrN2O — CID 79718882

IUPAC5-bromo-3-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine
SMILESCc1cc(Br)cnc1NCC1CCOC1
InChIInChI=1S/C11H15BrN2O/c1-8-4-10(12)6-14-11(8)13-5-9-2-3-15-7-9/h4,6,9H,2-3,5,7H2,1H3,(H,13,14)
InChIKeyUWQPIVNTPJGMFU-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.60
Rot. Bonds3

About 5-bromo-3-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine

5-bromo-3-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine (PubChem CID 79718882) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine
PubChem CID79718882
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name5-bromo-3-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine
SMILESCc1cc(Br)cnc1NCC1CCOC1
InChIInChI=1S/C11H15BrN2O/c1-8-4-10(12)6-14-11(8)13-5-9-2-3-15-7-9/h4,6,9H,2-3,5,7H2,1H3,(H,13,14)
InChIKeyUWQPIVNTPJGMFU-UHFFFAOYSA-N
XLogP2.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine
CID 62823635
5-bromo-3-methyl-N-[2-(oxan-4-yl)ethyl]pyridin-2-amine
CID 115148665
3-bromo-5-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine
CID 105366780
3-bromo-4-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,5-diamine
CID 104506777
5-bromo-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796021
3-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,5-diamine
CID 63726632
5-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine
CID 79718992
2-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 79718302
5-bromo-2-(oxan-4-ylmethylamino)pyridine-3-sulfonamide
CID 168730254
5-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,4-diamine
CID 83265537
5-fluoro-6-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 103634945
6-chloro-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 63728364

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine (CID 79718882) is 5-bromo-3-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine is Cc1cc(Br)cnc1NCC1CCOC1.
What is the InChIKey of 5-bromo-3-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine?
The InChIKey is UWQPIVNTPJGMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-8-4-10(12)6-14-11(8)13-5-9-2-3-15-7-9/h4,6,9H,2-3,5,7H2,1H3,(H,13,14).
What are the key properties of 5-bromo-3-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine?
5-bromo-3-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine has a molecular weight of 271.16 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 79718882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).