2-N-[(5-bromothiophen-2-yl)methyl]-2-N,3-dimethylpyridine-2,5-diamine

C12H14BrN3S — CID 115147983

IUPAC2-N-[(5-bromothiophen-2-yl)methyl]-2-N,3-dimethylpyridine-2,5-diamine
SMILESCc1cc(N)cnc1N(C)Cc1ccc(Br)s1
InChIInChI=1S/C12H14BrN3S/c1-8-5-9(14)6-15-12(8)16(2)7-10-3-4-11(13)17-10/h3-6H,7,14H2,1-2H3
InChIKeyWPMFDEZXLOABNK-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.43
Rot. Bonds3

About 2-N-[(5-bromothiophen-2-yl)methyl]-2-N,3-dimethylpyridine-2,5-diamine

2-N-[(5-bromothiophen-2-yl)methyl]-2-N,3-dimethylpyridine-2,5-diamine (PubChem CID 115147983) has the molecular formula C12H14BrN3S and a molecular weight of 312.24 g/mol. Its IUPAC name is 2-N-[(5-bromothiophen-2-yl)methyl]-2-N,3-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[(5-bromothiophen-2-yl)methyl]-2-N,3-dimethylpyridine-2,5-diamine
PubChem CID115147983
Molecular FormulaC12H14BrN3S
Molecular Weight312.24 g/mol
Exact Mass311.01
IUPAC Name2-N-[(5-bromothiophen-2-yl)methyl]-2-N,3-dimethylpyridine-2,5-diamine
SMILESCc1cc(N)cnc1N(C)Cc1ccc(Br)s1
InChIInChI=1S/C12H14BrN3S/c1-8-5-9(14)6-15-12(8)16(2)7-10-3-4-11(13)17-10/h3-6H,7,14H2,1-2H3
InChIKeyWPMFDEZXLOABNK-UHFFFAOYSA-N
XLogP3.43
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(5-bromo-2-methoxyphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine
CID 115147985
2-N-[(4-chlorophenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine
CID 62475698
3-N-[(5-bromothiophen-2-yl)methyl]-3-N-methylbenzene-1,3-diamine
CID 61295641
2-N-[(4-fluoro-3-methylphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine
CID 115147979
2-N,3-dimethyl-2-N-(1H-pyrrol-2-ylmethyl)pyridine-2,5-diamine
CID 115147991
5-(bromomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpyridin-2-amine
CID 107081351
2-N-(2,2-dimethylpropyl)-2-N,3-dimethylpyridine-2,5-diamine
CID 62475716
2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N,3-dimethylpyridine-2,5-diamine
CID 115147996
N-[(5-bromothiophen-2-yl)methyl]-6-fluoro-N-methylquinazolin-4-amine
CID 78901234
4-N-[(5-bromothiophen-2-yl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine
CID 115123916
2-N-[(5-bromothiophen-2-yl)methyl]-4-chloro-2-N-methylbenzene-1,2-diamine
CID 107466105
5-bromo-N-[(2,5-dimethylphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 115148609

Frequently Asked Questions

What is the IUPAC name of 2-N-[(5-bromothiophen-2-yl)methyl]-2-N,3-dimethylpyridine-2,5-diamine?
The IUPAC name of 2-N-[(5-bromothiophen-2-yl)methyl]-2-N,3-dimethylpyridine-2,5-diamine (CID 115147983) is 2-N-[(5-bromothiophen-2-yl)methyl]-2-N,3-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-[(5-bromothiophen-2-yl)methyl]-2-N,3-dimethylpyridine-2,5-diamine?
The canonical SMILES for 2-N-[(5-bromothiophen-2-yl)methyl]-2-N,3-dimethylpyridine-2,5-diamine is Cc1cc(N)cnc1N(C)Cc1ccc(Br)s1.
What is the InChIKey of 2-N-[(5-bromothiophen-2-yl)methyl]-2-N,3-dimethylpyridine-2,5-diamine?
The InChIKey is WPMFDEZXLOABNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3S/c1-8-5-9(14)6-15-12(8)16(2)7-10-3-4-11(13)17-10/h3-6H,7,14H2,1-2H3.
What are the key properties of 2-N-[(5-bromothiophen-2-yl)methyl]-2-N,3-dimethylpyridine-2,5-diamine?
2-N-[(5-bromothiophen-2-yl)methyl]-2-N,3-dimethylpyridine-2,5-diamine has a molecular weight of 312.24 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5-bromothiophen-2-yl)methyl]-2-N,3-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 115147983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).