N'-[[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl]-N'-methylethane-1,2-diamine

C13H21N7O — CID 123204035

IUPACN'-[[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)CC1CCC(n2cnc3c(N)ncnc32)O1
InChIInChI=1S/C13H21N7O/c1-19(5-4-14)6-9-2-3-10(21-9)20-8-18-11-12(15)16-7-17-13(11)20/h7-10H,2-6,14H2,1H3,(H2,15,16,17)
InChIKeyWODRVDBDQIJIQU-UHFFFAOYSA-N
MW291.36 g/mol
LogP-0.02
Rot. Bonds5

About N'-[[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl]-N'-methylethane-1,2-diamine

N'-[[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl]-N'-methylethane-1,2-diamine (PubChem CID 123204035) has the molecular formula C13H21N7O and a molecular weight of 291.36 g/mol. Its IUPAC name is N'-[[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl]-N'-methylethane-1,2-diamine
PubChem CID123204035
Molecular FormulaC13H21N7O
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC NameN'-[[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)CC1CCC(n2cnc3c(N)ncnc32)O1
InChIInChI=1S/C13H21N7O/c1-19(5-4-14)6-9-2-3-10(21-9)20-8-18-11-12(15)16-7-17-13(11)20/h7-10H,2-6,14H2,1H3,(H2,15,16,17)
InChIKeyWODRVDBDQIJIQU-UHFFFAOYSA-N
XLogP-0.02
TPSA108.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[(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
[5-(6-aminopurin-9-yl)oxolan-2-yl]methoxyphosphanylmethanol
CID 170179293
[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methylthiourea
CID 142299425
[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl methyl hydrogen phosphite
CID 138569278
9-(6-methyloxan-2-yl)purin-6-amine
CID 91511498
9-[5-(1,6-diazaspiro[3.3]heptan-6-ylmethyl)oxolan-2-yl]purin-6-amine
CID 145365063
(2R,3S,4R)-2-[[3-aminopropyl(methyl)amino]methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol
CID 46874021
9-[5-(trityloxymethyl)oxolan-2-yl]purin-6-amine
CID 18516769
9-[(2R,5S)-5-[2-[amino(hydroxy)phosphinothioyl]oxyethyl]oxolan-2-yl]purin-6-amine
CID 163488341
[5-(6-aminopurin-9-yl)oxolan-2-yl]methanetriol
CID 167504350
9-[5-(4H-1,3,2-benzodioxaphosphinin-2-yloxymethyl)oxolan-2-yl]purin-6-amine
CID 144900469

Frequently Asked Questions

What is the IUPAC name of N'-[[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl]-N'-methylethane-1,2-diamine (CID 123204035) is N'-[[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl]-N'-methylethane-1,2-diamine is CN(CCN)CC1CCC(n2cnc3c(N)ncnc32)O1.
What is the InChIKey of N'-[[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl]-N'-methylethane-1,2-diamine?
The InChIKey is WODRVDBDQIJIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7O/c1-19(5-4-14)6-9-2-3-10(21-9)20-8-18-11-12(15)16-7-17-13(11)20/h7-10H,2-6,14H2,1H3,(H2,15,16,17).
What are the key properties of N'-[[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl]-N'-methylethane-1,2-diamine?
N'-[[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl]-N'-methylethane-1,2-diamine has a molecular weight of 291.36 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 123204035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).