2,6-difluoro-9-(oxan-2-yl)purine

C10H10F2N4O — CID 155436461

IUPAC2,6-difluoro-9-(oxan-2-yl)purine
SMILESFc1nc(F)c2ncn(C3CCCCO3)c2n1
InChIInChI=1S/C10H10F2N4O/c11-8-7-9(15-10(12)14-8)16(5-13-7)6-3-1-2-4-17-6/h5-6H,1-4H2
InChIKeyROUFDSXHTWLRAX-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.80
Rot. Bonds1

About 2,6-difluoro-9-(oxan-2-yl)purine

2,6-difluoro-9-(oxan-2-yl)purine (PubChem CID 155436461) has the molecular formula C10H10F2N4O and a molecular weight of 240.21 g/mol. Its IUPAC name is 2,6-difluoro-9-(oxan-2-yl)purine.

Molecular Properties

Compound Name2,6-difluoro-9-(oxan-2-yl)purine
PubChem CID155436461
Molecular FormulaC10H10F2N4O
Molecular Weight240.21 g/mol
Exact Mass240.08
IUPAC Name2,6-difluoro-9-(oxan-2-yl)purine
SMILESFc1nc(F)c2ncn(C3CCCCO3)c2n1
InChIInChI=1S/C10H10F2N4O/c11-8-7-9(15-10(12)14-8)16(5-13-7)6-3-1-2-4-17-6/h5-6H,1-4H2
InChIKeyROUFDSXHTWLRAX-UHFFFAOYSA-N
XLogP1.80
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-fluoro-9-(oxan-2-yl)purin-6-yl]morpholine
CID 123229043
4-N-[2-fluoro-9-(oxan-2-yl)purin-6-yl]benzene-1,4-diamine
CID 146574821
2-fluoro-9-(oxan-2-yl)-N-[(3,4,5-trifluorophenyl)methyl]purin-6-amine
CID 162441159
2-fluoro-9-(oxan-2-yl)-N-[(2,3,6-trifluorophenyl)methyl]purin-6-amine
CID 162441138
2-fluoro-N-(3-methylbut-3-enyl)-9-(oxepan-2-yl)purin-6-amine
CID 162440855
N-(4-ethoxyphenyl)-2-fluoro-9-(oxan-2-yl)purin-6-amine
CID 146575289
2-fluoro-N-[(2-methylphenyl)methyl]-9-(oxan-2-yl)purin-6-amine
CID 162441039
4-[[2-fluoro-9-(oxan-2-yl)purin-6-yl]amino]-3-methylphenol
CID 162440938
N-(2,3-difluorophenyl)-2-fluoro-9-(oxolan-2-yl)purin-6-amine
CID 146574673
N-(2-chlorophenyl)-2-fluoro-9-(oxolan-2-yl)purin-6-amine
CID 146575044
2-[[[2-fluoro-9-(oxan-2-yl)purin-6-yl]amino]methyl]benzene-1,4-diol
CID 162440960
N-(2,3-dimethoxyphenyl)-2-fluoro-9-(oxepan-2-yl)purin-6-amine
CID 162440937

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-9-(oxan-2-yl)purine?
The IUPAC name of 2,6-difluoro-9-(oxan-2-yl)purine (CID 155436461) is 2,6-difluoro-9-(oxan-2-yl)purine.
What is the SMILES notation for 2,6-difluoro-9-(oxan-2-yl)purine?
The canonical SMILES for 2,6-difluoro-9-(oxan-2-yl)purine is Fc1nc(F)c2ncn(C3CCCCO3)c2n1.
What is the InChIKey of 2,6-difluoro-9-(oxan-2-yl)purine?
The InChIKey is ROUFDSXHTWLRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4O/c11-8-7-9(15-10(12)14-8)16(5-13-7)6-3-1-2-4-17-6/h5-6H,1-4H2.
What are the key properties of 2,6-difluoro-9-(oxan-2-yl)purine?
2,6-difluoro-9-(oxan-2-yl)purine has a molecular weight of 240.21 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-9-(oxan-2-yl)purine is sourced from PubChem (CID 155436461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).