3-bromo-2-N-(oxan-3-ylmethyl)pyridine-2,5-diamine

C11H16BrN3O — CID 79535173

IUPAC3-bromo-2-N-(oxan-3-ylmethyl)pyridine-2,5-diamine
SMILESNc1cnc(NCC2CCCOC2)c(Br)c1
InChIInChI=1S/C11H16BrN3O/c12-10-4-9(13)6-15-11(10)14-5-8-2-1-3-16-7-8/h4,6,8H,1-3,5,7,13H2,(H,14,15)
InChIKeyWGTRCYRELPQHJG-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.26
Rot. Bonds3

About 3-bromo-2-N-(oxan-3-ylmethyl)pyridine-2,5-diamine

3-bromo-2-N-(oxan-3-ylmethyl)pyridine-2,5-diamine (PubChem CID 79535173) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 3-bromo-2-N-(oxan-3-ylmethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-(oxan-3-ylmethyl)pyridine-2,5-diamine
PubChem CID79535173
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name3-bromo-2-N-(oxan-3-ylmethyl)pyridine-2,5-diamine
SMILESNc1cnc(NCC2CCCOC2)c(Br)c1
InChIInChI=1S/C11H16BrN3O/c12-10-4-9(13)6-15-11(10)14-5-8-2-1-3-16-7-8/h4,6,8H,1-3,5,7,13H2,(H,14,15)
InChIKeyWGTRCYRELPQHJG-UHFFFAOYSA-N
XLogP2.26
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 114835731
3-bromo-5-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine
CID 105366780
3-bromo-2-N-[(4-ethylcyclohexyl)methyl]pyridine-2,5-diamine
CID 79535447
5-bromo-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796021
5-bromo-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine
CID 62823635
5-chloro-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
CID 80813611
5-fluoro-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
CID 80813012
3-bromo-2-N-(oxolan-3-yl)pyridine-2,5-diamine
CID 80716678
3-bromo-4-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,5-diamine
CID 104506777
5-bromo-3-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine
CID 79718882
N-[[(3R)-oxan-3-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 94180483
3-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,5-diamine
CID 63726632

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-(oxan-3-ylmethyl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-(oxan-3-ylmethyl)pyridine-2,5-diamine (CID 79535173) is 3-bromo-2-N-(oxan-3-ylmethyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-(oxan-3-ylmethyl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-(oxan-3-ylmethyl)pyridine-2,5-diamine is Nc1cnc(NCC2CCCOC2)c(Br)c1.
What is the InChIKey of 3-bromo-2-N-(oxan-3-ylmethyl)pyridine-2,5-diamine?
The InChIKey is WGTRCYRELPQHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c12-10-4-9(13)6-15-11(10)14-5-8-2-1-3-16-7-8/h4,6,8H,1-3,5,7,13H2,(H,14,15).
What are the key properties of 3-bromo-2-N-(oxan-3-ylmethyl)pyridine-2,5-diamine?
3-bromo-2-N-(oxan-3-ylmethyl)pyridine-2,5-diamine has a molecular weight of 286.17 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-(oxan-3-ylmethyl)pyridine-2,5-diamine is sourced from PubChem (CID 79535173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).