9-[5-(1,6-diazaspiro[3.3]heptan-6-ylmethyl)oxolan-2-yl]purin-6-amine

C15H21N7O — CID 145365063

IUPAC9-[5-(1,6-diazaspiro[3.3]heptan-6-ylmethyl)oxolan-2-yl]purin-6-amine
SMILESNc1ncnc2c1ncn2C1CCC(CN2CC3(CCN3)C2)O1
InChIInChI=1S/C15H21N7O/c16-13-12-14(18-8-17-13)22(9-19-12)11-2-1-10(23-11)5-21-6-15(7-21)3-4-20-15/h8-11,20H,1-7H2,(H2,16,17,18)
InChIKeyDHNDVSQOTGAKLE-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.13
Rot. Bonds3

About 9-[5-(1,6-diazaspiro[3.3]heptan-6-ylmethyl)oxolan-2-yl]purin-6-amine

9-[5-(1,6-diazaspiro[3.3]heptan-6-ylmethyl)oxolan-2-yl]purin-6-amine (PubChem CID 145365063) has the molecular formula C15H21N7O and a molecular weight of 315.38 g/mol. Its IUPAC name is 9-[5-(1,6-diazaspiro[3.3]heptan-6-ylmethyl)oxolan-2-yl]purin-6-amine.

Molecular Properties

Compound Name9-[5-(1,6-diazaspiro[3.3]heptan-6-ylmethyl)oxolan-2-yl]purin-6-amine
PubChem CID145365063
Molecular FormulaC15H21N7O
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC Name9-[5-(1,6-diazaspiro[3.3]heptan-6-ylmethyl)oxolan-2-yl]purin-6-amine
SMILESNc1ncnc2c1ncn2C1CCC(CN2CC3(CCN3)C2)O1
InChIInChI=1S/C15H21N7O/c16-13-12-14(18-8-17-13)22(9-19-12)11-2-1-10(23-11)5-21-6-15(7-21)3-4-20-15/h8-11,20H,1-7H2,(H2,16,17,18)
InChIKeyDHNDVSQOTGAKLE-UHFFFAOYSA-N
XLogP0.13
TPSA94.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

9-[5-(2,5-diazaspiro[3.4]octan-2-ylmethyl)oxolan-2-yl]purin-6-amine
CID 145365104
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
N-[9-[5-(1,6-diazaspiro[3.3]heptan-6-ylmethyl)oxolan-2-yl]purin-6-yl]benzamide
CID 145365076
[(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
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
7-[5-(1,8-diazaspiro[5.5]undecan-8-ylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 145365103
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

Frequently Asked Questions

What is the IUPAC name of 9-[5-(1,6-diazaspiro[3.3]heptan-6-ylmethyl)oxolan-2-yl]purin-6-amine?
The IUPAC name of 9-[5-(1,6-diazaspiro[3.3]heptan-6-ylmethyl)oxolan-2-yl]purin-6-amine (CID 145365063) is 9-[5-(1,6-diazaspiro[3.3]heptan-6-ylmethyl)oxolan-2-yl]purin-6-amine.
What is the SMILES notation for 9-[5-(1,6-diazaspiro[3.3]heptan-6-ylmethyl)oxolan-2-yl]purin-6-amine?
The canonical SMILES for 9-[5-(1,6-diazaspiro[3.3]heptan-6-ylmethyl)oxolan-2-yl]purin-6-amine is Nc1ncnc2c1ncn2C1CCC(CN2CC3(CCN3)C2)O1.
What is the InChIKey of 9-[5-(1,6-diazaspiro[3.3]heptan-6-ylmethyl)oxolan-2-yl]purin-6-amine?
The InChIKey is DHNDVSQOTGAKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O/c16-13-12-14(18-8-17-13)22(9-19-12)11-2-1-10(23-11)5-21-6-15(7-21)3-4-20-15/h8-11,20H,1-7H2,(H2,16,17,18).
What are the key properties of 9-[5-(1,6-diazaspiro[3.3]heptan-6-ylmethyl)oxolan-2-yl]purin-6-amine?
9-[5-(1,6-diazaspiro[3.3]heptan-6-ylmethyl)oxolan-2-yl]purin-6-amine has a molecular weight of 315.38 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-(1,6-diazaspiro[3.3]heptan-6-ylmethyl)oxolan-2-yl]purin-6-amine is sourced from PubChem (CID 145365063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).