5-bromo-4-N-methyl-4-N-(pyridin-2-ylmethyl)pyridine-3,4-diamine

C12H13BrN4 — CID 103517732

IUPAC5-bromo-4-N-methyl-4-N-(pyridin-2-ylmethyl)pyridine-3,4-diamine
SMILESCN(Cc1ccccn1)c1c(N)cncc1Br
InChIInChI=1S/C12H13BrN4/c1-17(8-9-4-2-3-5-16-9)12-10(13)6-15-7-11(12)14/h2-7H,8,14H2,1H3
InChIKeyWVKLSMZDPGMBKR-UHFFFAOYSA-N
MW293.17 g/mol
LogP2.46
Rot. Bonds3

About 5-bromo-4-N-methyl-4-N-(pyridin-2-ylmethyl)pyridine-3,4-diamine

5-bromo-4-N-methyl-4-N-(pyridin-2-ylmethyl)pyridine-3,4-diamine (PubChem CID 103517732) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is 5-bromo-4-N-methyl-4-N-(pyridin-2-ylmethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-methyl-4-N-(pyridin-2-ylmethyl)pyridine-3,4-diamine
PubChem CID103517732
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC Name5-bromo-4-N-methyl-4-N-(pyridin-2-ylmethyl)pyridine-3,4-diamine
SMILESCN(Cc1ccccn1)c1c(N)cncc1Br
InChIInChI=1S/C12H13BrN4/c1-17(8-9-4-2-3-5-16-9)12-10(13)6-15-7-11(12)14/h2-7H,8,14H2,1H3
InChIKeyWVKLSMZDPGMBKR-UHFFFAOYSA-N
XLogP2.46
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine
CID 79918710
2-N,6-N-dimethyl-2-N,6-N-bis(pyridin-2-ylmethyl)pyrazine-2,6-diamine
CID 100671089
6-hydrazinyl-N-methyl-N-(pyridin-2-ylmethyl)pyrazin-2-amine
CID 80906505
N,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 171328176
N-[(2-bromophenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine
CID 78942264
[6-[methyl(pyridin-2-ylmethyl)amino]pyrazin-2-yl]methanol
CID 66467294
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
2-bromo-6-[methyl(pyridin-2-ylmethyl)amino]benzenecarbothioamide
CID 114882000
3-(aminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyrazin-2-amine
CID 62672521
5-fluoro-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 171328236
4-bromo-2-(bromomethyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 114061506

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-methyl-4-N-(pyridin-2-ylmethyl)pyridine-3,4-diamine?
The IUPAC name of 5-bromo-4-N-methyl-4-N-(pyridin-2-ylmethyl)pyridine-3,4-diamine (CID 103517732) is 5-bromo-4-N-methyl-4-N-(pyridin-2-ylmethyl)pyridine-3,4-diamine.
What is the SMILES notation for 5-bromo-4-N-methyl-4-N-(pyridin-2-ylmethyl)pyridine-3,4-diamine?
The canonical SMILES for 5-bromo-4-N-methyl-4-N-(pyridin-2-ylmethyl)pyridine-3,4-diamine is CN(Cc1ccccn1)c1c(N)cncc1Br.
What is the InChIKey of 5-bromo-4-N-methyl-4-N-(pyridin-2-ylmethyl)pyridine-3,4-diamine?
The InChIKey is WVKLSMZDPGMBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c1-17(8-9-4-2-3-5-16-9)12-10(13)6-15-7-11(12)14/h2-7H,8,14H2,1H3.
What are the key properties of 5-bromo-4-N-methyl-4-N-(pyridin-2-ylmethyl)pyridine-3,4-diamine?
5-bromo-4-N-methyl-4-N-(pyridin-2-ylmethyl)pyridine-3,4-diamine has a molecular weight of 293.17 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-methyl-4-N-(pyridin-2-ylmethyl)pyridine-3,4-diamine is sourced from PubChem (CID 103517732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).