8-(3-methylbutoxy)-9-[(2R)-oxan-2-yl]purin-6-amine

C15H23N5O2 — CID 69089530

IUPAC8-(3-methylbutoxy)-9-[(2R)-oxan-2-yl]purin-6-amine
SMILESCC(C)CCOc1nc2c(N)ncnc2n1[C@H]1CCCCO1
InChIInChI=1S/C15H23N5O2/c1-10(2)6-8-22-15-19-12-13(16)17-9-18-14(12)20(15)11-5-3-4-7-21-11/h9-11H,3-8H2,1-2H3,(H2,16,17,18)/t11-/m1/s1
InChIKeyUWFRKVYQOARKIP-LLVKDONJSA-N
MW305.38 g/mol
LogP2.53
Rot. Bonds5

About 8-(3-methylbutoxy)-9-[(2R)-oxan-2-yl]purin-6-amine

8-(3-methylbutoxy)-9-[(2R)-oxan-2-yl]purin-6-amine (PubChem CID 69089530) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 8-(3-methylbutoxy)-9-[(2R)-oxan-2-yl]purin-6-amine.

Molecular Properties

Compound Name8-(3-methylbutoxy)-9-[(2R)-oxan-2-yl]purin-6-amine
PubChem CID69089530
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name8-(3-methylbutoxy)-9-[(2R)-oxan-2-yl]purin-6-amine
SMILESCC(C)CCOc1nc2c(N)ncnc2n1[C@H]1CCCCO1
InChIInChI=1S/C15H23N5O2/c1-10(2)6-8-22-15-19-12-13(16)17-9-18-14(12)20(15)11-5-3-4-7-21-11/h9-11H,3-8H2,1-2H3,(H2,16,17,18)/t11-/m1/s1
InChIKeyUWFRKVYQOARKIP-LLVKDONJSA-N
XLogP2.53
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-methyl-9-(oxan-2-yl)purine-8-carbaldehyde
CID 153403283
8-bromo-2-butoxy-9-(oxan-2-yl)purin-6-amine
CID 23158548
9-(oxan-2-yl)-6-propan-2-ylpurine
CID 15277787
6-chloro-8-methyl-9-[(2R)-oxan-2-yl]purine
CID 129389721
6-chloro-9-(oxan-2-yl)purine-8-carbaldehyde
CID 146349551
3-methyl-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 57355918
(2R,3S,5R)-5-(6-amino-8-methoxypurin-9-yl)-2-methyloxolan-3-ol
CID 90728426
(2R,5R)-5-(6-amino-8-phenylmethoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 163296362
9-[1-(oxan-2-yloxy)-3-(phosphorosooxymethoxy)propyl]purin-6-amine
CID 88685510
2-(2-methylpropyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117165741
6-benzyl-8-methyl-9-(oxan-2-yl)purine
CID 170077319
8-(methoxymethyl)-9-(oxan-2-yl)-6-phenylmethoxypurine
CID 153402974

Frequently Asked Questions

What is the IUPAC name of 8-(3-methylbutoxy)-9-[(2R)-oxan-2-yl]purin-6-amine?
The IUPAC name of 8-(3-methylbutoxy)-9-[(2R)-oxan-2-yl]purin-6-amine (CID 69089530) is 8-(3-methylbutoxy)-9-[(2R)-oxan-2-yl]purin-6-amine.
What is the SMILES notation for 8-(3-methylbutoxy)-9-[(2R)-oxan-2-yl]purin-6-amine?
The canonical SMILES for 8-(3-methylbutoxy)-9-[(2R)-oxan-2-yl]purin-6-amine is CC(C)CCOc1nc2c(N)ncnc2n1[C@H]1CCCCO1.
What is the InChIKey of 8-(3-methylbutoxy)-9-[(2R)-oxan-2-yl]purin-6-amine?
The InChIKey is UWFRKVYQOARKIP-LLVKDONJSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-10(2)6-8-22-15-19-12-13(16)17-9-18-14(12)20(15)11-5-3-4-7-21-11/h9-11H,3-8H2,1-2H3,(H2,16,17,18)/t11-/m1/s1.
What are the key properties of 8-(3-methylbutoxy)-9-[(2R)-oxan-2-yl]purin-6-amine?
8-(3-methylbutoxy)-9-[(2R)-oxan-2-yl]purin-6-amine has a molecular weight of 305.38 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methylbutoxy)-9-[(2R)-oxan-2-yl]purin-6-amine is sourced from PubChem (CID 69089530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).