5-bromo-4-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3,4-diamine

C14H16BrN3O2 — CID 103518137

IUPAC5-bromo-4-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3,4-diamine
SMILESCOc1ccc(CNc2c(N)cncc2Br)c(OC)c1
InChIInChI=1S/C14H16BrN3O2/c1-19-10-4-3-9(13(5-10)20-2)6-18-14-11(15)7-17-8-12(14)16/h3-5,7-8H,6,16H2,1-2H3,(H,17,18)
InChIKeySOKHLMATWXRNGB-UHFFFAOYSA-N
MW338.21 g/mol
LogP3.06
Rot. Bonds5

About 5-bromo-4-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3,4-diamine

5-bromo-4-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3,4-diamine (PubChem CID 103518137) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 5-bromo-4-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3,4-diamine
PubChem CID103518137
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name5-bromo-4-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3,4-diamine
SMILESCOc1ccc(CNc2c(N)cncc2Br)c(OC)c1
InChIInChI=1S/C14H16BrN3O2/c1-19-10-4-3-9(13(5-10)20-2)6-18-14-11(15)7-17-8-12(14)16/h3-5,7-8H,6,16H2,1-2H3,(H,17,18)
InChIKeySOKHLMATWXRNGB-UHFFFAOYSA-N
XLogP3.06
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,2-diamine
CID 65342577
4-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluoroaniline
CID 65470060
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80906951
6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]pyridine-2,3,4-triamine
CID 154666347
2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]aniline
CID 43736641
N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 60966861
6-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 118510223
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
4-N-[(2,4-dimethoxyphenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80815552
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methoxyaniline
CID 61061133
2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoroaniline
CID 107633034

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3,4-diamine?
The IUPAC name of 5-bromo-4-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3,4-diamine (CID 103518137) is 5-bromo-4-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3,4-diamine.
What is the SMILES notation for 5-bromo-4-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3,4-diamine?
The canonical SMILES for 5-bromo-4-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3,4-diamine is COc1ccc(CNc2c(N)cncc2Br)c(OC)c1.
What is the InChIKey of 5-bromo-4-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3,4-diamine?
The InChIKey is SOKHLMATWXRNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-19-10-4-3-9(13(5-10)20-2)6-18-14-11(15)7-17-8-12(14)16/h3-5,7-8H,6,16H2,1-2H3,(H,17,18).
What are the key properties of 5-bromo-4-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3,4-diamine?
5-bromo-4-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3,4-diamine has a molecular weight of 338.21 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3,4-diamine is sourced from PubChem (CID 103518137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).