8-(2-amino-1-methoxyethyl)-7H-purin-6-amine

C8H12N6O — CID 106108785

IUPAC8-(2-amino-1-methoxyethyl)-7H-purin-6-amine
SMILESCOC(CN)c1nc2ncnc(N)c2[nH]1
InChIInChI=1S/C8H12N6O/c1-15-4(2-9)7-13-5-6(10)11-3-12-8(5)14-7/h3-4H,2,9H2,1H3,(H3,10,11,12,13,14)
InChIKeyALDLZJOPEVAQMT-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.42
Rot. Bonds3

About 8-(2-amino-1-methoxyethyl)-7H-purin-6-amine

8-(2-amino-1-methoxyethyl)-7H-purin-6-amine (PubChem CID 106108785) has the molecular formula C8H12N6O and a molecular weight of 208.22 g/mol. Its IUPAC name is 8-(2-amino-1-methoxyethyl)-7H-purin-6-amine.

Molecular Properties

Compound Name8-(2-amino-1-methoxyethyl)-7H-purin-6-amine
PubChem CID106108785
Molecular FormulaC8H12N6O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name8-(2-amino-1-methoxyethyl)-7H-purin-6-amine
SMILESCOC(CN)c1nc2ncnc(N)c2[nH]1
InChIInChI=1S/C8H12N6O/c1-15-4(2-9)7-13-5-6(10)11-3-12-8(5)14-7/h3-4H,2,9H2,1H3,(H3,10,11,12,13,14)
InChIKeyALDLZJOPEVAQMT-UHFFFAOYSA-N
XLogP-0.42
TPSA115.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

8-(1-amino-4-methylpentan-2-yl)-7H-purin-6-amine
CID 114607908
8-(1-aminopropyl)-7H-purin-6-amine
CID 114607892
7H-purine-6,8-diamine;dihydrochloride
CID 45264504
8-[amino(thiophen-2-yl)methyl]-7H-purin-6-amine
CID 114607939
8-[4-(aminomethyl)oxan-4-yl]-7H-purin-6-amine
CID 114608026
8-methylsulfanyl-7H-purin-6-amine
CID 935524
8-N,8-N-dimethyl-7H-purine-6,8-diamine
CID 776561
(6-amino-7H-purin-8-yl) acetate
CID 130015261
1-amino-3-(6-amino-7H-purin-8-yl)-2-methylpropan-2-ol
CID 114607937
8-(3-ethoxypropyl)-7H-purin-6-amine
CID 114608170
8-(5-amino-3,3-dimethylpentyl)-7H-purin-6-amine
CID 114608052
8-(trifluoromethyl)-7H-purin-6-amine
CID 3635406

Frequently Asked Questions

What is the IUPAC name of 8-(2-amino-1-methoxyethyl)-7H-purin-6-amine?
The IUPAC name of 8-(2-amino-1-methoxyethyl)-7H-purin-6-amine (CID 106108785) is 8-(2-amino-1-methoxyethyl)-7H-purin-6-amine.
What is the SMILES notation for 8-(2-amino-1-methoxyethyl)-7H-purin-6-amine?
The canonical SMILES for 8-(2-amino-1-methoxyethyl)-7H-purin-6-amine is COC(CN)c1nc2ncnc(N)c2[nH]1.
What is the InChIKey of 8-(2-amino-1-methoxyethyl)-7H-purin-6-amine?
The InChIKey is ALDLZJOPEVAQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O/c1-15-4(2-9)7-13-5-6(10)11-3-12-8(5)14-7/h3-4H,2,9H2,1H3,(H3,10,11,12,13,14).
What are the key properties of 8-(2-amino-1-methoxyethyl)-7H-purin-6-amine?
8-(2-amino-1-methoxyethyl)-7H-purin-6-amine has a molecular weight of 208.22 g/mol, XLogP of -0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-amino-1-methoxyethyl)-7H-purin-6-amine is sourced from PubChem (CID 106108785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).