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

C13H20BrN3O — CID 62295126

IUPAC5-bromo-N-methyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine
SMILESCNCc1cc(Br)cnc1N(C)CC1CCCO1
InChIInChI=1S/C13H20BrN3O/c1-15-7-10-6-11(14)8-16-13(10)17(2)9-12-4-3-5-18-12/h6,8,12,15H,3-5,7,9H2,1-2H3
InChIKeyWFFLUWUNWPCYJX-UHFFFAOYSA-N
MW314.23 g/mol
LogP2.18
Rot. Bonds5

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

5-bromo-N-methyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine (PubChem CID 62295126) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is 5-bromo-N-methyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine
PubChem CID62295126
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name5-bromo-N-methyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine
SMILESCNCc1cc(Br)cnc1N(C)CC1CCCO1
InChIInChI=1S/C13H20BrN3O/c1-15-7-10-6-11(14)8-16-13(10)17(2)9-12-4-3-5-18-12/h6,8,12,15H,3-5,7,9H2,1-2H3
InChIKeyWFFLUWUNWPCYJX-UHFFFAOYSA-N
XLogP2.18
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-ethyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62282728
5-bromo-N-methyl-3-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 63708110
5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62282729
3-chloro-N-methyl-5-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 62281998
5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine
CID 105417629
5-(bromomethyl)-N,3-dimethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 107081226
5-[(tert-butylamino)methyl]-N,3-dimethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 80631769
N-methyl-2-(methylaminomethyl)-N-(oxolan-2-ylmethyl)aniline
CID 61431971
[5-methyl-6-[methyl(oxolan-2-ylmethyl)amino]-3-pyridinyl]methanol
CID 80632448
5-bromo-2-N,4-N-dimethyl-2-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine
CID 133498461
N-methyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine
CID 61432564
3-(aminomethyl)-5-bromo-N-(cyclobutylmethyl)-N-methylpyridin-2-amine
CID 62855860

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-methyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine (CID 62295126) is 5-bromo-N-methyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-methyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine is CNCc1cc(Br)cnc1N(C)CC1CCCO1.
What is the InChIKey of 5-bromo-N-methyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine?
The InChIKey is WFFLUWUNWPCYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-15-7-10-6-11(14)8-16-13(10)17(2)9-12-4-3-5-18-12/h6,8,12,15H,3-5,7,9H2,1-2H3.
What are the key properties of 5-bromo-N-methyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine?
5-bromo-N-methyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine has a molecular weight of 314.23 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 62295126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).