3-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine

C14H18BrN3OS — CID 102831966

IUPAC3-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
SMILESCOc1nccc(N(C)C)c1NCc1cc(Br)c(C)s1
InChIInChI=1S/C14H18BrN3OS/c1-9-11(15)7-10(20-9)8-17-13-12(18(2)3)5-6-16-14(13)19-4/h5-7,17H,8H2,1-4H3
InChIKeyHGSIGVUWUNCJOU-UHFFFAOYSA-N
MW356.29 g/mol
LogP3.90
Rot. Bonds5

About 3-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine

3-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine (PubChem CID 102831966) has the molecular formula C14H18BrN3OS and a molecular weight of 356.29 g/mol. Its IUPAC name is 3-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine.

Molecular Properties

Compound Name3-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
PubChem CID102831966
Molecular FormulaC14H18BrN3OS
Molecular Weight356.29 g/mol
Exact Mass355.04
IUPAC Name3-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
SMILESCOc1nccc(N(C)C)c1NCc1cc(Br)c(C)s1
InChIInChI=1S/C14H18BrN3OS/c1-9-11(15)7-10(20-9)8-17-13-12(18(2)3)5-6-16-14(13)19-4/h5-7,17H,8H2,1-4H3
InChIKeyHGSIGVUWUNCJOU-UHFFFAOYSA-N
XLogP3.90
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine with MolForge

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Related Compounds

2-methoxy-4-N,4-N-dimethyl-3-N-(pyridin-4-ylmethyl)pyridine-3,4-diamine
CID 43678938
5-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 102832425
2-methoxy-4-N,4-N-dimethyl-3-N-(1H-pyrazol-5-ylmethyl)pyridine-3,4-diamine
CID 43679012
3-N-[(3-chlorophenyl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678976
2-methoxy-4-N,4-N-dimethyl-3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3,4-diamine
CID 43678884
4-[[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]methyl]benzonitrile
CID 43678951
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2,3,4,5,6-pentafluoroaniline
CID 102836995
2-chloro-6-[[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]methyl]phenol
CID 115951113
2,4-dibromo-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-5-methoxyaniline
CID 103411374
2-methoxy-4-N,4-N-dimethyl-3-N-[(5-methyloxolan-2-yl)methyl]pyridine-3,4-diamine
CID 82834992
3-bromo-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]thiophene-2-carboxamide
CID 63172401
3-bromo-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide
CID 61456047

Frequently Asked Questions

What is the IUPAC name of 3-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine?
The IUPAC name of 3-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine (CID 102831966) is 3-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine.
What is the SMILES notation for 3-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine?
The canonical SMILES for 3-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine is COc1nccc(N(C)C)c1NCc1cc(Br)c(C)s1.
What is the InChIKey of 3-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine?
The InChIKey is HGSIGVUWUNCJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3OS/c1-9-11(15)7-10(20-9)8-17-13-12(18(2)3)5-6-16-14(13)19-4/h5-7,17H,8H2,1-4H3.
What are the key properties of 3-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine?
3-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine has a molecular weight of 356.29 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine is sourced from PubChem (CID 102831966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).