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

C11H15BrN2O — CID 105366780

IUPAC3-bromo-5-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine
SMILESCc1cnc(NCC2CCOC2)c(Br)c1
InChIInChI=1S/C11H15BrN2O/c1-8-4-10(12)11(13-5-8)14-6-9-2-3-15-7-9/h4-5,9H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyMXHMFHCXOBPSMG-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.60
Rot. Bonds3

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

3-bromo-5-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine (PubChem CID 105366780) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine
PubChem CID105366780
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name3-bromo-5-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine
SMILESCc1cnc(NCC2CCOC2)c(Br)c1
InChIInChI=1S/C11H15BrN2O/c1-8-4-10(12)11(13-5-8)14-6-9-2-3-15-7-9/h4-5,9H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyMXHMFHCXOBPSMG-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-3-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine
CID 79718882
3-bromo-N-(1,4-dioxan-2-ylmethyl)-5-methylpyridin-2-amine
CID 105366774
3-bromo-N-(cyclohexylmethyl)-5-methylpyridin-2-amine
CID 105366700
3-bromo-4-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,5-diamine
CID 104506777
3-bromo-5-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 114835731
3-bromo-2-N-(oxan-3-ylmethyl)pyridine-2,5-diamine
CID 79535173
5-bromo-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine
CID 62823635
3-bromo-5-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine
CID 105367397
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
5-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,4-diamine
CID 83265537
N'-(3-bromo-5-methyl-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine
CID 105367269

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 3-bromo-5-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine (CID 105366780) is 3-bromo-5-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-5-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine is Cc1cnc(NCC2CCOC2)c(Br)c1.
What is the InChIKey of 3-bromo-5-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine?
The InChIKey is MXHMFHCXOBPSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-8-4-10(12)11(13-5-8)14-6-9-2-3-15-7-9/h4-5,9H,2-3,6-7H2,1H3,(H,13,14).
What are the key properties of 3-bromo-5-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine?
3-bromo-5-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 3-bromo-5-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 105366780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).