6-bromo-9-(114C)methylpurine

C6H5BrN4 — CID 44549674

IUPAC6-bromo-9-(114C)methylpurine
SMILES[14CH3]n1cnc2c(Br)ncnc21
InChIInChI=1S/C6H5BrN4/c1-11-3-10-4-5(7)8-2-9-6(4)11/h2-3H,1H3/i1+2
InChIKeyJDAHBFHRJASMLL-NJFSPNSNSA-N
MW215.03 g/mol
LogP1.13
Rot. Bonds

About 6-bromo-9-(114C)methylpurine

6-bromo-9-(114C)methylpurine (PubChem CID 44549674) has the molecular formula C6H5BrN4 and a molecular weight of 215.03 g/mol. Its IUPAC name is 6-bromo-9-(114C)methylpurine.

Molecular Properties

Compound Name6-bromo-9-(114C)methylpurine
PubChem CID44549674
Molecular FormulaC6H5BrN4
Molecular Weight215.03 g/mol
Exact Mass213.97
IUPAC Name6-bromo-9-(114C)methylpurine
SMILES[14CH3]n1cnc2c(Br)ncnc21
InChIInChI=1S/C6H5BrN4/c1-11-3-10-4-5(7)8-2-9-6(4)11/h2-3H,1H3/i1+2
InChIKeyJDAHBFHRJASMLL-NJFSPNSNSA-N
XLogP1.13
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.03
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-(6-bromopurin-9-yl)heptan-2-one
CID 102307708
3,7-dibromo-2H-pyrazolo[4,3-d]pyrimidine
CID 170900189
[(3aR,4R,6R,6aR)-4-(6-bromopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl acetate
CID 86607305
6-(azetidin-1-yl)-9-methylpurine
CID 147079717
6-chloro-9-(6-chloropurin-9-yl)oxypurine
CID 174748519
9-ethyl-N-methylpurin-6-amine
CID 23389288
9-butan-2-yl-6-methylpurine
CID 166765034
5,6-dibromopyrimidin-4-amine
CID 130067671
9-[4,6-bis(6-aminopurin-9-yl)-1,3,5-triazin-2-yl]purin-6-amine
CID 102192385
9-phosphorosopurin-6-amine
CID 57110561
(2S,3R,5R)-5-(6,8-dibromopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 87921424
2-bromo-6-methylpurin-9-amine
CID 96602183

Frequently Asked Questions

What is the IUPAC name of 6-bromo-9-(114C)methylpurine?
The IUPAC name of 6-bromo-9-(114C)methylpurine (CID 44549674) is 6-bromo-9-(114C)methylpurine.
What is the SMILES notation for 6-bromo-9-(114C)methylpurine?
The canonical SMILES for 6-bromo-9-(114C)methylpurine is [14CH3]n1cnc2c(Br)ncnc21.
What is the InChIKey of 6-bromo-9-(114C)methylpurine?
The InChIKey is JDAHBFHRJASMLL-NJFSPNSNSA-N. The full InChI is InChI=1S/C6H5BrN4/c1-11-3-10-4-5(7)8-2-9-6(4)11/h2-3H,1H3/i1+2.
What are the key properties of 6-bromo-9-(114C)methylpurine?
6-bromo-9-(114C)methylpurine has a molecular weight of 215.03 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-9-(114C)methylpurine is sourced from PubChem (CID 44549674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).