6-chloro-9-(oxan-2-yl)purine-8-carbaldehyde

C11H11ClN4O2 — CID 146349551

IUPAC6-chloro-9-(oxan-2-yl)purine-8-carbaldehyde
SMILESO=Cc1nc2c(Cl)ncnc2n1C1CCCCO1
InChIInChI=1S/C11H11ClN4O2/c12-10-9-11(14-6-13-10)16(7(5-17)15-9)8-3-1-2-4-18-8/h5-6,8H,1-4H2
InChIKeyZXRIBQPOCUJXAU-UHFFFAOYSA-N
MW266.69 g/mol
LogP1.99
Rot. Bonds2

About 6-chloro-9-(oxan-2-yl)purine-8-carbaldehyde

6-chloro-9-(oxan-2-yl)purine-8-carbaldehyde (PubChem CID 146349551) has the molecular formula C11H11ClN4O2 and a molecular weight of 266.69 g/mol. Its IUPAC name is 6-chloro-9-(oxan-2-yl)purine-8-carbaldehyde.

Molecular Properties

Compound Name6-chloro-9-(oxan-2-yl)purine-8-carbaldehyde
PubChem CID146349551
Molecular FormulaC11H11ClN4O2
Molecular Weight266.69 g/mol
Exact Mass266.06
IUPAC Name6-chloro-9-(oxan-2-yl)purine-8-carbaldehyde
SMILESO=Cc1nc2c(Cl)ncnc2n1C1CCCCO1
InChIInChI=1S/C11H11ClN4O2/c12-10-9-11(14-6-13-10)16(7(5-17)15-9)8-3-1-2-4-18-8/h5-6,8H,1-4H2
InChIKeyZXRIBQPOCUJXAU-UHFFFAOYSA-N
XLogP1.99
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-methyl-9-(oxan-2-yl)purine-8-carbaldehyde
CID 153403283
6-chloro-8-methyl-9-[(2R)-oxan-2-yl]purine
CID 129389721
3-[6-chloro-9-(oxolan-2-yl)purin-8-yl]propan-1-ol
CID 90897560
8-chloro-6-(4-methylpent-3-en-1-ynyl)-9-(oxan-2-yl)purine
CID 101335393
3-chloro-5-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine
CID 118988228
8-(3-methylbutoxy)-9-[(2R)-oxan-2-yl]purin-6-amine
CID 69089530
6-benzyl-8-methyl-9-(oxan-2-yl)purine
CID 170077319
6-chloro-9-cyclopropyl-8-methylpurine
CID 119027078
3-chloro-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine
CID 141132128
9-(oxan-2-yl)-6-propan-2-ylpurine
CID 15277787
5-chloro-1-(oxan-2-yl)-3-propan-2-yloxypyrazolo[4,5-b]pyridine-7-carbaldehyde
CID 169206856
6-chloro-9-[(2R)-oxan-2-yl]-7,8-dihydropurine
CID 124639362

Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-(oxan-2-yl)purine-8-carbaldehyde?
The IUPAC name of 6-chloro-9-(oxan-2-yl)purine-8-carbaldehyde (CID 146349551) is 6-chloro-9-(oxan-2-yl)purine-8-carbaldehyde.
What is the SMILES notation for 6-chloro-9-(oxan-2-yl)purine-8-carbaldehyde?
The canonical SMILES for 6-chloro-9-(oxan-2-yl)purine-8-carbaldehyde is O=Cc1nc2c(Cl)ncnc2n1C1CCCCO1.
What is the InChIKey of 6-chloro-9-(oxan-2-yl)purine-8-carbaldehyde?
The InChIKey is ZXRIBQPOCUJXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2/c12-10-9-11(14-6-13-10)16(7(5-17)15-9)8-3-1-2-4-18-8/h5-6,8H,1-4H2.
What are the key properties of 6-chloro-9-(oxan-2-yl)purine-8-carbaldehyde?
6-chloro-9-(oxan-2-yl)purine-8-carbaldehyde has a molecular weight of 266.69 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-(oxan-2-yl)purine-8-carbaldehyde is sourced from PubChem (CID 146349551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).