6-[(5-bromothiophen-2-yl)methylsulfanyl]-7H-purine

C10H7BrN4S2 — CID 62253247

IUPAC6-[(5-bromothiophen-2-yl)methylsulfanyl]-7H-purine
SMILESBrc1ccc(CSc2ncnc3nc[nH]c23)s1
InChIInChI=1S/C10H7BrN4S2/c11-7-2-1-6(17-7)3-16-10-8-9(13-4-12-8)14-5-15-10/h1-2,4-5H,3H2,(H,12,13,14,15)
InChIKeyHMNVXXWVHPBLLR-UHFFFAOYSA-N
MW327.23 g/mol
LogP3.47
Rot. Bonds3

About 6-[(5-bromothiophen-2-yl)methylsulfanyl]-7H-purine

6-[(5-bromothiophen-2-yl)methylsulfanyl]-7H-purine (PubChem CID 62253247) has the molecular formula C10H7BrN4S2 and a molecular weight of 327.23 g/mol. Its IUPAC name is 6-[(5-bromothiophen-2-yl)methylsulfanyl]-7H-purine.

Molecular Properties

Compound Name6-[(5-bromothiophen-2-yl)methylsulfanyl]-7H-purine
PubChem CID62253247
Molecular FormulaC10H7BrN4S2
Molecular Weight327.23 g/mol
Exact Mass325.93
IUPAC Name6-[(5-bromothiophen-2-yl)methylsulfanyl]-7H-purine
SMILESBrc1ccc(CSc2ncnc3nc[nH]c23)s1
InChIInChI=1S/C10H7BrN4S2/c11-7-2-1-6(17-7)3-16-10-8-9(13-4-12-8)14-5-15-10/h1-2,4-5H,3H2,(H,12,13,14,15)
InChIKeyHMNVXXWVHPBLLR-UHFFFAOYSA-N
XLogP3.47
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(7H-purin-6-ylsulfanyl)butylsulfanyl]-7H-purine
CID 3844803
N-ethyl-5-(7H-purin-6-ylsulfanylmethyl)-1,3-thiazol-2-amine
CID 79774146
6-[(4-methylsulfanylphenyl)methylsulfanyl]-7H-purine
CID 146314022
3-bromo-5-(7H-purin-6-ylsulfanylmethyl)aniline
CID 103351188
6-(pyridazin-3-ylmethylsulfanyl)-7H-purine
CID 171816697
6-(7H-purin-6-ylsulfanyl)hexan-1-ol
CID 103736339
6-dodecylsulfanyl-7H-purine
CID 3778984
6-(3-phenylpropylsulfanyl)-7H-purine
CID 135397811
2-[2-(7H-purin-6-ylsulfanyl)ethyl]aniline
CID 62497271
2-fluoro-3-(7H-purin-6-ylsulfanylmethyl)benzonitrile
CID 103886710
4-chloro-2-(7H-purin-6-ylsulfanylmethyl)aniline
CID 79582600
3-chloro-2-(7H-purin-6-ylsulfanylmethyl)aniline
CID 63746301

Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromothiophen-2-yl)methylsulfanyl]-7H-purine?
The IUPAC name of 6-[(5-bromothiophen-2-yl)methylsulfanyl]-7H-purine (CID 62253247) is 6-[(5-bromothiophen-2-yl)methylsulfanyl]-7H-purine.
What is the SMILES notation for 6-[(5-bromothiophen-2-yl)methylsulfanyl]-7H-purine?
The canonical SMILES for 6-[(5-bromothiophen-2-yl)methylsulfanyl]-7H-purine is Brc1ccc(CSc2ncnc3nc[nH]c23)s1.
What is the InChIKey of 6-[(5-bromothiophen-2-yl)methylsulfanyl]-7H-purine?
The InChIKey is HMNVXXWVHPBLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN4S2/c11-7-2-1-6(17-7)3-16-10-8-9(13-4-12-8)14-5-15-10/h1-2,4-5H,3H2,(H,12,13,14,15).
What are the key properties of 6-[(5-bromothiophen-2-yl)methylsulfanyl]-7H-purine?
6-[(5-bromothiophen-2-yl)methylsulfanyl]-7H-purine has a molecular weight of 327.23 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-bromothiophen-2-yl)methylsulfanyl]-7H-purine is sourced from PubChem (CID 62253247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).