8-bromo-3-cyclopropyl-7-methylpurine-2,6-dione

C9H9BrN4O2 — CID 129249128

IUPAC8-bromo-3-cyclopropyl-7-methylpurine-2,6-dione
SMILESCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C1CC1
InChIInChI=1S/C9H9BrN4O2/c1-13-5-6(11-8(13)10)14(4-2-3-4)9(16)12-7(5)15/h4H,2-3H2,1H3,(H,12,15,16)
InChIKeyFQGYWJNNNZOONK-UHFFFAOYSA-N
MW285.10 g/mol
LogP0.52
Rot. Bonds1

About 8-bromo-3-cyclopropyl-7-methylpurine-2,6-dione

8-bromo-3-cyclopropyl-7-methylpurine-2,6-dione (PubChem CID 129249128) has the molecular formula C9H9BrN4O2 and a molecular weight of 285.10 g/mol. Its IUPAC name is 8-bromo-3-cyclopropyl-7-methylpurine-2,6-dione.

Molecular Properties

Compound Name8-bromo-3-cyclopropyl-7-methylpurine-2,6-dione
PubChem CID129249128
Molecular FormulaC9H9BrN4O2
Molecular Weight285.10 g/mol
Exact Mass283.99
IUPAC Name8-bromo-3-cyclopropyl-7-methylpurine-2,6-dione
SMILESCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C1CC1
InChIInChI=1S/C9H9BrN4O2/c1-13-5-6(11-8(13)10)14(4-2-3-4)9(16)12-7(5)15/h4H,2-3H2,1H3,(H,12,15,16)
InChIKeyFQGYWJNNNZOONK-UHFFFAOYSA-N
XLogP0.52
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.10
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-bromo-3-cyclopropyl-7-methylpurine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(aminomethyl)-3-cyclohexyl-7-methylpurine-2,6-dione
CID 82464302
8-bromo-7-[4-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)butyl]-3-methylpurine-2,6-dione
CID 3736328
3-cyclohexyl-7-ethyl-8-(methylamino)purine-2,6-dione
CID 82464295
8-bromo-3-[3,3-difluoro-2-(hydroxymethyl)propyl]-7-methylpurine-2,6-dione
CID 171772607
3,7-dimethyl-8-pyrrolidin-3-ylpurine-2,6-dione
CID 82466111
8-bromo-3-methyl-7-propylpurine-2,6-dione
CID 747357
8-(2-azabicyclo[2.2.1]heptan-2-yl)-3,7-dimethylpurine-2,6-dione
CID 47370801
3-methyl-7-piperidin-4-ylpurine-2,6-dione
CID 82465471
7-methyl-8-piperidin-4-yl-3-propylpurine-2,6-dione
CID 82464122
3-bromo-4-cyclopropyl-1H-1,2,4-triazol-5-one
CID 18947673
8-bromo-3,7-diethylpurine-2,6-dione
CID 82464024
8-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3,7-dimethylpurine-2,6-dione
CID 97193015

Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-cyclopropyl-7-methylpurine-2,6-dione?
The IUPAC name of 8-bromo-3-cyclopropyl-7-methylpurine-2,6-dione (CID 129249128) is 8-bromo-3-cyclopropyl-7-methylpurine-2,6-dione.
What is the SMILES notation for 8-bromo-3-cyclopropyl-7-methylpurine-2,6-dione?
The canonical SMILES for 8-bromo-3-cyclopropyl-7-methylpurine-2,6-dione is Cn1c(Br)nc2c1c(=O)[nH]c(=O)n2C1CC1.
What is the InChIKey of 8-bromo-3-cyclopropyl-7-methylpurine-2,6-dione?
The InChIKey is FQGYWJNNNZOONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O2/c1-13-5-6(11-8(13)10)14(4-2-3-4)9(16)12-7(5)15/h4H,2-3H2,1H3,(H,12,15,16).
What are the key properties of 8-bromo-3-cyclopropyl-7-methylpurine-2,6-dione?
8-bromo-3-cyclopropyl-7-methylpurine-2,6-dione has a molecular weight of 285.10 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-cyclopropyl-7-methylpurine-2,6-dione is sourced from PubChem (CID 129249128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).