6-(5-bromo-4-methoxypyrimidin-2-yl)sulfanyl-7H-purine

C10H7BrN6OS — CID 106999464

IUPAC6-(5-bromo-4-methoxypyrimidin-2-yl)sulfanyl-7H-purine
SMILESCOc1nc(Sc2ncnc3nc[nH]c23)ncc1Br
InChIInChI=1S/C10H7BrN6OS/c1-18-8-5(11)2-12-10(17-8)19-9-6-7(14-3-13-6)15-4-16-9/h2-4H,1H3,(H,13,14,15,16)
InChIKeyQPHYPIIFEQZYRQ-UHFFFAOYSA-N
MW339.18 g/mol
LogP2.07
Rot. Bonds3

About 6-(5-bromo-4-methoxypyrimidin-2-yl)sulfanyl-7H-purine

6-(5-bromo-4-methoxypyrimidin-2-yl)sulfanyl-7H-purine (PubChem CID 106999464) has the molecular formula C10H7BrN6OS and a molecular weight of 339.18 g/mol. Its IUPAC name is 6-(5-bromo-4-methoxypyrimidin-2-yl)sulfanyl-7H-purine.

Molecular Properties

Compound Name6-(5-bromo-4-methoxypyrimidin-2-yl)sulfanyl-7H-purine
PubChem CID106999464
Molecular FormulaC10H7BrN6OS
Molecular Weight339.18 g/mol
Exact Mass337.96
IUPAC Name6-(5-bromo-4-methoxypyrimidin-2-yl)sulfanyl-7H-purine
SMILESCOc1nc(Sc2ncnc3nc[nH]c23)ncc1Br
InChIInChI=1S/C10H7BrN6OS/c1-18-8-5(11)2-12-10(17-8)19-9-6-7(14-3-13-6)15-4-16-9/h2-4H,1H3,(H,13,14,15,16)
InChIKeyQPHYPIIFEQZYRQ-UHFFFAOYSA-N
XLogP2.07
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2,4-dimethoxyphenyl)sulfanyl-7H-purine
CID 514794
3-bromo-4-(7H-purin-6-ylsulfanyl)aniline
CID 62253599
6-(4-propan-2-yloxyphenyl)sulfanyl-7H-purine
CID 140979996
6-[4-(7H-purin-6-ylsulfanyl)butylsulfanyl]-7H-purine
CID 3844803
6-methoxy-2-methylsulfanyl-7H-purine
CID 119082313
5-fluoro-4-methoxy-2-(7H-purin-6-ylsulfanyl)aniline
CID 63600025
2-bromo-6-(7H-purin-6-ylsulfanyl)benzoic acid
CID 114888782
6-[(3,5,6-trifluoro-2-pyridinyl)sulfanyl]-7H-purine
CID 114072791
N-ethyl-5-methyl-4-(7H-purin-6-ylsulfanyl)pyrimidin-2-amine
CID 80892340
6-(6-bromoimidazo[1,2-a]pyrazin-8-yl)sulfanyl-7H-purine
CID 79954521
6-[(6-chloro-2-pyridinyl)sulfanyl]-7H-purine
CID 63588245
6-dodecylsulfanyl-7H-purine
CID 3778984

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-4-methoxypyrimidin-2-yl)sulfanyl-7H-purine?
The IUPAC name of 6-(5-bromo-4-methoxypyrimidin-2-yl)sulfanyl-7H-purine (CID 106999464) is 6-(5-bromo-4-methoxypyrimidin-2-yl)sulfanyl-7H-purine.
What is the SMILES notation for 6-(5-bromo-4-methoxypyrimidin-2-yl)sulfanyl-7H-purine?
The canonical SMILES for 6-(5-bromo-4-methoxypyrimidin-2-yl)sulfanyl-7H-purine is COc1nc(Sc2ncnc3nc[nH]c23)ncc1Br.
What is the InChIKey of 6-(5-bromo-4-methoxypyrimidin-2-yl)sulfanyl-7H-purine?
The InChIKey is QPHYPIIFEQZYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN6OS/c1-18-8-5(11)2-12-10(17-8)19-9-6-7(14-3-13-6)15-4-16-9/h2-4H,1H3,(H,13,14,15,16).
What are the key properties of 6-(5-bromo-4-methoxypyrimidin-2-yl)sulfanyl-7H-purine?
6-(5-bromo-4-methoxypyrimidin-2-yl)sulfanyl-7H-purine has a molecular weight of 339.18 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-4-methoxypyrimidin-2-yl)sulfanyl-7H-purine is sourced from PubChem (CID 106999464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).