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

C13H15BrN4 — CID 104506472

IUPAC3-bromo-4-methyl-2-N-(2-pyridin-3-ylethyl)pyridine-2,5-diamine
SMILESCc1c(N)cnc(NCCc2cccnc2)c1Br
InChIInChI=1S/C13H15BrN4/c1-9-11(15)8-18-13(12(9)14)17-6-4-10-3-2-5-16-7-10/h2-3,5,7-8H,4,6,15H2,1H3,(H,17,18)
InChIKeyMJFYQXCMWPQVKY-UHFFFAOYSA-N
MW307.19 g/mol
LogP2.78
Rot. Bonds4

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

3-bromo-4-methyl-2-N-(2-pyridin-3-ylethyl)pyridine-2,5-diamine (PubChem CID 104506472) has the molecular formula C13H15BrN4 and a molecular weight of 307.19 g/mol. Its IUPAC name is 3-bromo-4-methyl-2-N-(2-pyridin-3-ylethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-4-methyl-2-N-(2-pyridin-3-ylethyl)pyridine-2,5-diamine
PubChem CID104506472
Molecular FormulaC13H15BrN4
Molecular Weight307.19 g/mol
Exact Mass306.05
IUPAC Name3-bromo-4-methyl-2-N-(2-pyridin-3-ylethyl)pyridine-2,5-diamine
SMILESCc1c(N)cnc(NCCc2cccnc2)c1Br
InChIInChI=1S/C13H15BrN4/c1-9-11(15)8-18-13(12(9)14)17-6-4-10-3-2-5-16-7-10/h2-3,5,7-8H,4,6,15H2,1H3,(H,17,18)
InChIKeyMJFYQXCMWPQVKY-UHFFFAOYSA-N
XLogP2.78
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine
CID 80791970
2-methyl-4-N-(2-pyridin-3-ylethyl)-1H-imidazole-4,5-diamine
CID 82239168
3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine
CID 104506234
5-amino-6-(2-pyridin-3-ylethylamino)pyridine-3-carbonitrile
CID 103467700
2-hydrazinyl-5-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
CID 80898668
5-bromo-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine
CID 63873791
3-chloro-N-(2-pyridin-3-ylethyl)pyridin-2-amine
CID 60914274
4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]butanamide
CID 104506470
4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine
CID 80791275
6-methyl-4-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325324
5,6-dimethyl-3-(2-pyridin-3-ylethylamino)pyridazine-4-carbonitrile
CID 36722480
6-ethoxy-2-N-(2-pyridin-3-ylethyl)pyridine-2,5-diamine
CID 60896057

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-2-N-(2-pyridin-3-ylethyl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-4-methyl-2-N-(2-pyridin-3-ylethyl)pyridine-2,5-diamine (CID 104506472) is 3-bromo-4-methyl-2-N-(2-pyridin-3-ylethyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-4-methyl-2-N-(2-pyridin-3-ylethyl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-4-methyl-2-N-(2-pyridin-3-ylethyl)pyridine-2,5-diamine is Cc1c(N)cnc(NCCc2cccnc2)c1Br.
What is the InChIKey of 3-bromo-4-methyl-2-N-(2-pyridin-3-ylethyl)pyridine-2,5-diamine?
The InChIKey is MJFYQXCMWPQVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c1-9-11(15)8-18-13(12(9)14)17-6-4-10-3-2-5-16-7-10/h2-3,5,7-8H,4,6,15H2,1H3,(H,17,18).
What are the key properties of 3-bromo-4-methyl-2-N-(2-pyridin-3-ylethyl)pyridine-2,5-diamine?
3-bromo-4-methyl-2-N-(2-pyridin-3-ylethyl)pyridine-2,5-diamine has a molecular weight of 307.19 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-2-N-(2-pyridin-3-ylethyl)pyridine-2,5-diamine is sourced from PubChem (CID 104506472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).