9-[(2R,5S)-5-(2,5-diazaspiro[3.5]nonan-5-ylmethyl)oxolan-2-yl]purin-6-amine

C17H25N7O — CID 155122262

IUPAC9-[(2R,5S)-5-(2,5-diazaspiro[3.5]nonan-5-ylmethyl)oxolan-2-yl]purin-6-amine
SMILESNc1ncnc2c1ncn2[C@H]1CC[C@@H](CN2CCCCC23CNC3)O1
InChIInChI=1S/C17H25N7O/c18-15-14-16(21-10-20-15)24(11-22-14)13-4-3-12(25-13)7-23-6-2-1-5-17(23)8-19-9-17/h10-13,19H,1-9H2,(H2,18,20,21)/t12-,13+/m0/s1
InChIKeyLKXHCTSSWTYQMS-QWHCGFSZSA-N
MW343.44 g/mol
LogP0.91
Rot. Bonds3

About 9-[(2R,5S)-5-(2,5-diazaspiro[3.5]nonan-5-ylmethyl)oxolan-2-yl]purin-6-amine

9-[(2R,5S)-5-(2,5-diazaspiro[3.5]nonan-5-ylmethyl)oxolan-2-yl]purin-6-amine (PubChem CID 155122262) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is 9-[(2R,5S)-5-(2,5-diazaspiro[3.5]nonan-5-ylmethyl)oxolan-2-yl]purin-6-amine.

Molecular Properties

Compound Name9-[(2R,5S)-5-(2,5-diazaspiro[3.5]nonan-5-ylmethyl)oxolan-2-yl]purin-6-amine
PubChem CID155122262
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC Name9-[(2R,5S)-5-(2,5-diazaspiro[3.5]nonan-5-ylmethyl)oxolan-2-yl]purin-6-amine
SMILESNc1ncnc2c1ncn2[C@H]1CC[C@@H](CN2CCCCC23CNC3)O1
InChIInChI=1S/C17H25N7O/c18-15-14-16(21-10-20-15)24(11-22-14)13-4-3-12(25-13)7-23-6-2-1-5-17(23)8-19-9-17/h10-13,19H,1-9H2,(H2,18,20,21)/t12-,13+/m0/s1
InChIKeyLKXHCTSSWTYQMS-QWHCGFSZSA-N
XLogP0.91
TPSA94.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 9-[(2R,5S)-5-(2,5-diazaspiro[3.5]nonan-5-ylmethyl)oxolan-2-yl]purin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[5-(1,8-diazaspiro[4.5]decan-1-ylmethyl)oxolan-2-yl]purin-6-amine
CID 145364999
9-[(2R,5S)-5-(2,7-diazaspiro[3.4]octan-2-ylmethyl)oxolan-2-yl]purin-6-amine
CID 155122265
N-[9-[5-(2,5-diazaspiro[3.5]nonan-5-ylmethyl)oxolan-2-yl]purin-6-yl]benzamide;propane-2,2-diol
CID 145365193
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
7-[(2R,5S)-5-(1,9-diazaspiro[5.5]undecan-1-ylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 145365015
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
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]methanetriol
CID 167504350
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-[(2R,5S)-5-(2,5-diazaspiro[3.5]nonan-5-ylmethyl)oxolan-2-yl]purin-6-amine?
The IUPAC name of 9-[(2R,5S)-5-(2,5-diazaspiro[3.5]nonan-5-ylmethyl)oxolan-2-yl]purin-6-amine (CID 155122262) is 9-[(2R,5S)-5-(2,5-diazaspiro[3.5]nonan-5-ylmethyl)oxolan-2-yl]purin-6-amine.
What is the SMILES notation for 9-[(2R,5S)-5-(2,5-diazaspiro[3.5]nonan-5-ylmethyl)oxolan-2-yl]purin-6-amine?
The canonical SMILES for 9-[(2R,5S)-5-(2,5-diazaspiro[3.5]nonan-5-ylmethyl)oxolan-2-yl]purin-6-amine is Nc1ncnc2c1ncn2[C@H]1CC[C@@H](CN2CCCCC23CNC3)O1.
What is the InChIKey of 9-[(2R,5S)-5-(2,5-diazaspiro[3.5]nonan-5-ylmethyl)oxolan-2-yl]purin-6-amine?
The InChIKey is LKXHCTSSWTYQMS-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H25N7O/c18-15-14-16(21-10-20-15)24(11-22-14)13-4-3-12(25-13)7-23-6-2-1-5-17(23)8-19-9-17/h10-13,19H,1-9H2,(H2,18,20,21)/t12-,13+/m0/s1.
What are the key properties of 9-[(2R,5S)-5-(2,5-diazaspiro[3.5]nonan-5-ylmethyl)oxolan-2-yl]purin-6-amine?
9-[(2R,5S)-5-(2,5-diazaspiro[3.5]nonan-5-ylmethyl)oxolan-2-yl]purin-6-amine has a molecular weight of 343.44 g/mol, XLogP of 0.91, 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-(2,5-diazaspiro[3.5]nonan-5-ylmethyl)oxolan-2-yl]purin-6-amine is sourced from PubChem (CID 155122262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).