9-[5-(2,5-diazaspiro[3.4]octan-2-ylmethyl)oxolan-2-yl]purin-6-amine

C16H23N7O — CID 145365104

IUPAC9-[5-(2,5-diazaspiro[3.4]octan-2-ylmethyl)oxolan-2-yl]purin-6-amine
SMILESNc1ncnc2c1ncn2C1CCC(CN2CC3(CCCN3)C2)O1
InChIInChI=1S/C16H23N7O/c17-14-13-15(19-9-18-14)23(10-20-13)12-3-2-11(24-12)6-22-7-16(8-22)4-1-5-21-16/h9-12,21H,1-8H2,(H2,17,18,19)
InChIKeyRSEFFEKYIOKDAZ-UHFFFAOYSA-N
MW329.41 g/mol
LogP0.52
Rot. Bonds3

About 9-[5-(2,5-diazaspiro[3.4]octan-2-ylmethyl)oxolan-2-yl]purin-6-amine

9-[5-(2,5-diazaspiro[3.4]octan-2-ylmethyl)oxolan-2-yl]purin-6-amine (PubChem CID 145365104) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is 9-[5-(2,5-diazaspiro[3.4]octan-2-ylmethyl)oxolan-2-yl]purin-6-amine.

Molecular Properties

Compound Name9-[5-(2,5-diazaspiro[3.4]octan-2-ylmethyl)oxolan-2-yl]purin-6-amine
PubChem CID145365104
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name9-[5-(2,5-diazaspiro[3.4]octan-2-ylmethyl)oxolan-2-yl]purin-6-amine
SMILESNc1ncnc2c1ncn2C1CCC(CN2CC3(CCCN3)C2)O1
InChIInChI=1S/C16H23N7O/c17-14-13-15(19-9-18-14)23(10-20-13)12-3-2-11(24-12)6-22-7-16(8-22)4-1-5-21-16/h9-12,21H,1-8H2,(H2,17,18,19)
InChIKeyRSEFFEKYIOKDAZ-UHFFFAOYSA-N
XLogP0.52
TPSA94.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

9-[5-(1,6-diazaspiro[3.3]heptan-6-ylmethyl)oxolan-2-yl]purin-6-amine
CID 145365063
9-[(2R,5S)-5-(2,7-diazaspiro[3.4]octan-2-ylmethyl)oxolan-2-yl]purin-6-amine
CID 155122265
9-[5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)oxolan-2-yl]purin-6-amine
CID 130418956
[(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol
CID 135258304
9-[5-(1,8-diazaspiro[4.5]decan-1-ylmethyl)oxolan-2-yl]purin-6-amine
CID 145364999
7-[5-(1,8-diazaspiro[5.5]undecan-8-ylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 145365103
N-[9-[5-(1,6-diazaspiro[3.3]heptan-6-ylmethyl)oxolan-2-yl]purin-6-yl]benzamide
CID 145365076
9-[(2R,5S)-5-(2,5-diazaspiro[3.5]nonan-5-ylmethyl)oxolan-2-yl]purin-6-amine
CID 155122262
acetylene;[5-(6-aminopurin-9-yl)oxolan-2-yl]methanol;methanol
CID 165130368
[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methylthiourea
CID 142299425
[5-(6-aminopurin-9-yl)oxolan-2-yl]methoxyphosphanylmethanol
CID 170179293
N'-[[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl]-N'-methylethane-1,2-diamine
CID 123204035

Frequently Asked Questions

What is the IUPAC name of 9-[5-(2,5-diazaspiro[3.4]octan-2-ylmethyl)oxolan-2-yl]purin-6-amine?
The IUPAC name of 9-[5-(2,5-diazaspiro[3.4]octan-2-ylmethyl)oxolan-2-yl]purin-6-amine (CID 145365104) is 9-[5-(2,5-diazaspiro[3.4]octan-2-ylmethyl)oxolan-2-yl]purin-6-amine.
What is the SMILES notation for 9-[5-(2,5-diazaspiro[3.4]octan-2-ylmethyl)oxolan-2-yl]purin-6-amine?
The canonical SMILES for 9-[5-(2,5-diazaspiro[3.4]octan-2-ylmethyl)oxolan-2-yl]purin-6-amine is Nc1ncnc2c1ncn2C1CCC(CN2CC3(CCCN3)C2)O1.
What is the InChIKey of 9-[5-(2,5-diazaspiro[3.4]octan-2-ylmethyl)oxolan-2-yl]purin-6-amine?
The InChIKey is RSEFFEKYIOKDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c17-14-13-15(19-9-18-14)23(10-20-13)12-3-2-11(24-12)6-22-7-16(8-22)4-1-5-21-16/h9-12,21H,1-8H2,(H2,17,18,19).
What are the key properties of 9-[5-(2,5-diazaspiro[3.4]octan-2-ylmethyl)oxolan-2-yl]purin-6-amine?
9-[5-(2,5-diazaspiro[3.4]octan-2-ylmethyl)oxolan-2-yl]purin-6-amine has a molecular weight of 329.41 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-(2,5-diazaspiro[3.4]octan-2-ylmethyl)oxolan-2-yl]purin-6-amine is sourced from PubChem (CID 145365104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).