9-[(2R,5S)-5-(2,7-diazaspiro[3.4]octan-2-ylmethyl)oxolan-2-yl]purin-6-amine

C16H23N7O — CID 155122265

IUPAC9-[(2R,5S)-5-(2,7-diazaspiro[3.4]octan-2-ylmethyl)oxolan-2-yl]purin-6-amine
SMILESNc1ncnc2c1ncn2[C@H]1CC[C@@H](CN2CC3(CCNC3)C2)O1
InChIInChI=1S/C16H23N7O/c17-14-13-15(20-9-19-14)23(10-21-13)12-2-1-11(24-12)5-22-7-16(8-22)3-4-18-6-16/h9-12,18H,1-8H2,(H2,17,19,20)/t11-,12+/m0/s1
InChIKeyAQEXGQFBMPQOQT-NWDGAFQWSA-N
MW329.41 g/mol
LogP0.38
Rot. Bonds3

About 9-[(2R,5S)-5-(2,7-diazaspiro[3.4]octan-2-ylmethyl)oxolan-2-yl]purin-6-amine

9-[(2R,5S)-5-(2,7-diazaspiro[3.4]octan-2-ylmethyl)oxolan-2-yl]purin-6-amine (PubChem CID 155122265) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is 9-[(2R,5S)-5-(2,7-diazaspiro[3.4]octan-2-ylmethyl)oxolan-2-yl]purin-6-amine.

Molecular Properties

Compound Name9-[(2R,5S)-5-(2,7-diazaspiro[3.4]octan-2-ylmethyl)oxolan-2-yl]purin-6-amine
PubChem CID155122265
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name9-[(2R,5S)-5-(2,7-diazaspiro[3.4]octan-2-ylmethyl)oxolan-2-yl]purin-6-amine
SMILESNc1ncnc2c1ncn2[C@H]1CC[C@@H](CN2CC3(CCNC3)C2)O1
InChIInChI=1S/C16H23N7O/c17-14-13-15(20-9-19-14)23(10-21-13)12-2-1-11(24-12)5-22-7-16(8-22)3-4-18-6-16/h9-12,18H,1-8H2,(H2,17,19,20)/t11-,12+/m0/s1
InChIKeyAQEXGQFBMPQOQT-NWDGAFQWSA-N
XLogP0.38
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 ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 9-[(2R,5S)-5-(2,7-diazaspiro[3.4]octan-2-ylmethyl)oxolan-2-yl]purin-6-amine with MolForge

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Related Compounds

9-[5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)oxolan-2-yl]purin-6-amine
CID 130418956
9-[5-(1,6-diazaspiro[3.3]heptan-6-ylmethyl)oxolan-2-yl]purin-6-amine
CID 145365063
9-[5-(2,5-diazaspiro[3.4]octan-2-ylmethyl)oxolan-2-yl]purin-6-amine
CID 145365104
9-[(2R,5S)-5-(2,5-diazaspiro[3.5]nonan-5-ylmethyl)oxolan-2-yl]purin-6-amine
CID 155122262
9-[5-(1,8-diazaspiro[4.5]decan-1-ylmethyl)oxolan-2-yl]purin-6-amine
CID 145364999
[(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol
CID 135258304
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
N-[9-[5-(2,6-diazaspiro[3.4]octan-6-ylmethyl)oxolan-2-yl]purin-6-yl]benzamide
CID 156542768
N'-[[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl]-N'-methylethane-1,2-diamine
CID 123204035
[5-(6-aminopurin-9-yl)oxolan-2-yl]methoxyphosphanylmethanol
CID 170179293
[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl methyl hydrogen phosphite
CID 138569278

Frequently Asked Questions

What is the IUPAC name of 9-[(2R,5S)-5-(2,7-diazaspiro[3.4]octan-2-ylmethyl)oxolan-2-yl]purin-6-amine?
The IUPAC name of 9-[(2R,5S)-5-(2,7-diazaspiro[3.4]octan-2-ylmethyl)oxolan-2-yl]purin-6-amine (CID 155122265) is 9-[(2R,5S)-5-(2,7-diazaspiro[3.4]octan-2-ylmethyl)oxolan-2-yl]purin-6-amine.
What is the SMILES notation for 9-[(2R,5S)-5-(2,7-diazaspiro[3.4]octan-2-ylmethyl)oxolan-2-yl]purin-6-amine?
The canonical SMILES for 9-[(2R,5S)-5-(2,7-diazaspiro[3.4]octan-2-ylmethyl)oxolan-2-yl]purin-6-amine is Nc1ncnc2c1ncn2[C@H]1CC[C@@H](CN2CC3(CCNC3)C2)O1.
What is the InChIKey of 9-[(2R,5S)-5-(2,7-diazaspiro[3.4]octan-2-ylmethyl)oxolan-2-yl]purin-6-amine?
The InChIKey is AQEXGQFBMPQOQT-NWDGAFQWSA-N. The full InChI is InChI=1S/C16H23N7O/c17-14-13-15(20-9-19-14)23(10-21-13)12-2-1-11(24-12)5-22-7-16(8-22)3-4-18-6-16/h9-12,18H,1-8H2,(H2,17,19,20)/t11-,12+/m0/s1.
What are the key properties of 9-[(2R,5S)-5-(2,7-diazaspiro[3.4]octan-2-ylmethyl)oxolan-2-yl]purin-6-amine?
9-[(2R,5S)-5-(2,7-diazaspiro[3.4]octan-2-ylmethyl)oxolan-2-yl]purin-6-amine has a molecular weight of 329.41 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2R,5S)-5-(2,7-diazaspiro[3.4]octan-2-ylmethyl)oxolan-2-yl]purin-6-amine is sourced from PubChem (CID 155122265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).