8-methyl-9-(oxan-2-yl)purine

C11H14N4O — CID 133062486

IUPAC8-methyl-9-(oxan-2-yl)purine
SMILESCc1nc2cncnc2n1C1CCCCO1
InChIInChI=1S/C11H14N4O/c1-8-14-9-6-12-7-13-11(9)15(8)10-4-2-3-5-16-10/h6-7,10H,2-5H2,1H3
InChIKeyZDDLYLFUZCGBJH-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.83
Rot. Bonds1

About 8-methyl-9-(oxan-2-yl)purine

8-methyl-9-(oxan-2-yl)purine (PubChem CID 133062486) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 8-methyl-9-(oxan-2-yl)purine.

Molecular Properties

Compound Name8-methyl-9-(oxan-2-yl)purine
PubChem CID133062486
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name8-methyl-9-(oxan-2-yl)purine
SMILESCc1nc2cncnc2n1C1CCCCO1
InChIInChI=1S/C11H14N4O/c1-8-14-9-6-12-7-13-11(9)15(8)10-4-2-3-5-16-10/h6-7,10H,2-5H2,1H3
InChIKeyZDDLYLFUZCGBJH-UHFFFAOYSA-N
XLogP1.83
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-8-methyl-9-[(2R)-oxan-2-yl]purine
CID 129389721
4-[[9-(oxan-2-yl)purin-8-yl]amino]phenol
CID 91040734
5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 134455317
6-benzyl-8-methyl-9-(oxan-2-yl)purine
CID 170077319
3-chloro-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine
CID 141132128
9-chloro-8-methylpurine
CID 174882940
6-methyl-9-(oxan-2-yl)purine-8-carbaldehyde
CID 153403283
5-bromo-2-methyl-1-(oxolan-2-yl)imidazole
CID 172992818
9-(oxan-2-yl)-6-propan-2-ylpurine
CID 15277787
2-(2-methylpropyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117165741
8-(4-methylpiperazin-1-yl)-9-[[(2R)-oxolan-2-yl]methyl]purine
CID 123488868
2-[(2-methylphenyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117165228

Frequently Asked Questions

What is the IUPAC name of 8-methyl-9-(oxan-2-yl)purine?
The IUPAC name of 8-methyl-9-(oxan-2-yl)purine (CID 133062486) is 8-methyl-9-(oxan-2-yl)purine.
What is the SMILES notation for 8-methyl-9-(oxan-2-yl)purine?
The canonical SMILES for 8-methyl-9-(oxan-2-yl)purine is Cc1nc2cncnc2n1C1CCCCO1.
What is the InChIKey of 8-methyl-9-(oxan-2-yl)purine?
The InChIKey is ZDDLYLFUZCGBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8-14-9-6-12-7-13-11(9)15(8)10-4-2-3-5-16-10/h6-7,10H,2-5H2,1H3.
What are the key properties of 8-methyl-9-(oxan-2-yl)purine?
8-methyl-9-(oxan-2-yl)purine has a molecular weight of 218.26 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-9-(oxan-2-yl)purine is sourced from PubChem (CID 133062486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).