6-bromo-3,7-dihydro-2H-purine

C5H5BrN4 — CID 136981577

IUPAC6-bromo-3,7-dihydro-2H-purine
SMILESBrC1=NCNc2nc[nH]c21
InChIInChI=1S/C5H5BrN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1,10H,2H2,(H,7,9)
InChIKeyXCNZHJPAGVNELZ-UHFFFAOYSA-N
MW201.03 g/mol
LogP0.93
Rot. Bonds

About 6-bromo-3,7-dihydro-2H-purine

6-bromo-3,7-dihydro-2H-purine (PubChem CID 136981577) has the molecular formula C5H5BrN4 and a molecular weight of 201.03 g/mol. Its IUPAC name is 6-bromo-3,7-dihydro-2H-purine.

Molecular Properties

Compound Name6-bromo-3,7-dihydro-2H-purine
PubChem CID136981577
Molecular FormulaC5H5BrN4
Molecular Weight201.03 g/mol
Exact Mass199.97
IUPAC Name6-bromo-3,7-dihydro-2H-purine
SMILESBrC1=NCNc2nc[nH]c21
InChIInChI=1S/C5H5BrN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1,10H,2H2,(H,7,9)
InChIKeyXCNZHJPAGVNELZ-UHFFFAOYSA-N
XLogP0.93
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.03
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dihydroimidazo[4,5-b]pyridine-5,7-dione;methane;yttrium
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2,2-diamino-3,7-dihydro-1H-purin-6-one
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1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine
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6-methyl-3,7-dihydropurin-1-ium
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3-cyclohexa-1,5-dien-1-yl-2-[(1S)-1-(3,7-dihydro-2H-purin-6-ylamino)ethyl]-6-fluoroquinazolin-4-one
CID 118190407
5-bromo-6-cyclopropyl-1H-pyrimidine-4-thione
CID 106480364
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2-bromo-3-fluoropyrazine
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6-chloro-6,7-dihydro-3H-purine
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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3,7-dihydro-2H-purine?
The IUPAC name of 6-bromo-3,7-dihydro-2H-purine (CID 136981577) is 6-bromo-3,7-dihydro-2H-purine.
What is the SMILES notation for 6-bromo-3,7-dihydro-2H-purine?
The canonical SMILES for 6-bromo-3,7-dihydro-2H-purine is BrC1=NCNc2nc[nH]c21.
What is the InChIKey of 6-bromo-3,7-dihydro-2H-purine?
The InChIKey is XCNZHJPAGVNELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1,10H,2H2,(H,7,9).
What are the key properties of 6-bromo-3,7-dihydro-2H-purine?
6-bromo-3,7-dihydro-2H-purine has a molecular weight of 201.03 g/mol, XLogP of 0.93, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3,7-dihydro-2H-purine is sourced from PubChem (CID 136981577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).