6-chloro-8-methyl-9-[(2R)-oxan-2-yl]purine

C11H13ClN4O — CID 129389721

IUPAC6-chloro-8-methyl-9-[(2R)-oxan-2-yl]purine
SMILESCc1nc2c(Cl)ncnc2n1[C@H]1CCCCO1
InChIInChI=1S/C11H13ClN4O/c1-7-15-9-10(12)13-6-14-11(9)16(7)8-4-2-3-5-17-8/h6,8H,2-5H2,1H3/t8-/m1/s1
InChIKeyOEOGILWEPFIQJR-MRVPVSSYSA-N
MW252.70 g/mol
LogP2.49
Rot. Bonds1

About 6-chloro-8-methyl-9-[(2R)-oxan-2-yl]purine

6-chloro-8-methyl-9-[(2R)-oxan-2-yl]purine (PubChem CID 129389721) has the molecular formula C11H13ClN4O and a molecular weight of 252.70 g/mol. Its IUPAC name is 6-chloro-8-methyl-9-[(2R)-oxan-2-yl]purine.

Molecular Properties

Compound Name6-chloro-8-methyl-9-[(2R)-oxan-2-yl]purine
PubChem CID129389721
Molecular FormulaC11H13ClN4O
Molecular Weight252.70 g/mol
Exact Mass252.08
IUPAC Name6-chloro-8-methyl-9-[(2R)-oxan-2-yl]purine
SMILESCc1nc2c(Cl)ncnc2n1[C@H]1CCCCO1
InChIInChI=1S/C11H13ClN4O/c1-7-15-9-10(12)13-6-14-11(9)16(7)8-4-2-3-5-17-8/h6,8H,2-5H2,1H3/t8-/m1/s1
InChIKeyOEOGILWEPFIQJR-MRVPVSSYSA-N
XLogP2.49
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-9-(oxan-2-yl)purine-8-carbaldehyde
CID 146349551
6-chloro-9-cyclopropyl-8-methylpurine
CID 119027078
6-benzyl-8-methyl-9-(oxan-2-yl)purine
CID 170077319
5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 134455317
8-methyl-9-(oxan-2-yl)purine
CID 133062486
3-[6-chloro-9-(oxolan-2-yl)purin-8-yl]propan-1-ol
CID 90897560
6-methyl-9-(oxan-2-yl)purine-8-carbaldehyde
CID 153403283
4-bromo-6-chloro-2-methyl-1-(oxan-2-yl)benzimidazole
CID 71272508
3-chloro-5-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine
CID 118988228
8-chloro-6-(4-methylpent-3-en-1-ynyl)-9-(oxan-2-yl)purine
CID 101335393
9-(oxan-2-yl)-6-propan-2-ylpurine
CID 15277787
6-chloro-2-iodo-8-(1-methylimidazol-2-yl)-9-(oxan-2-yl)purine
CID 169004531

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-methyl-9-[(2R)-oxan-2-yl]purine?
The IUPAC name of 6-chloro-8-methyl-9-[(2R)-oxan-2-yl]purine (CID 129389721) is 6-chloro-8-methyl-9-[(2R)-oxan-2-yl]purine.
What is the SMILES notation for 6-chloro-8-methyl-9-[(2R)-oxan-2-yl]purine?
The canonical SMILES for 6-chloro-8-methyl-9-[(2R)-oxan-2-yl]purine is Cc1nc2c(Cl)ncnc2n1[C@H]1CCCCO1.
What is the InChIKey of 6-chloro-8-methyl-9-[(2R)-oxan-2-yl]purine?
The InChIKey is OEOGILWEPFIQJR-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-7-15-9-10(12)13-6-14-11(9)16(7)8-4-2-3-5-17-8/h6,8H,2-5H2,1H3/t8-/m1/s1.
What are the key properties of 6-chloro-8-methyl-9-[(2R)-oxan-2-yl]purine?
6-chloro-8-methyl-9-[(2R)-oxan-2-yl]purine has a molecular weight of 252.70 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-methyl-9-[(2R)-oxan-2-yl]purine is sourced from PubChem (CID 129389721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).