9-[2-[methoxy(methyl)amino]ethyl]purin-6-amine;hydrochloride

C9H15ClN6O — CID 88596334

IUPAC9-[2-[methoxy(methyl)amino]ethyl]purin-6-amine;hydrochloride
SMILESCON(C)CCn1cnc2c(N)ncnc21.Cl
InChIInChI=1S/C9H14N6O.ClH/c1-14(16-2)3-4-15-6-13-7-8(10)11-5-12-9(7)15;/h5-6H,3-4H2,1-2H3,(H2,10,11,12);1H
InChIKeyUSUPHDJBWCSIDK-UHFFFAOYSA-N
MW258.71 g/mol
LogP0.32
Rot. Bonds4

About 9-[2-[methoxy(methyl)amino]ethyl]purin-6-amine;hydrochloride

9-[2-[methoxy(methyl)amino]ethyl]purin-6-amine;hydrochloride (PubChem CID 88596334) has the molecular formula C9H15ClN6O and a molecular weight of 258.71 g/mol. Its IUPAC name is 9-[2-[methoxy(methyl)amino]ethyl]purin-6-amine;hydrochloride.

Molecular Properties

Compound Name9-[2-[methoxy(methyl)amino]ethyl]purin-6-amine;hydrochloride
PubChem CID88596334
Molecular FormulaC9H15ClN6O
Molecular Weight258.71 g/mol
Exact Mass258.10
IUPAC Name9-[2-[methoxy(methyl)amino]ethyl]purin-6-amine;hydrochloride
SMILESCON(C)CCn1cnc2c(N)ncnc21.Cl
InChIInChI=1S/C9H14N6O.ClH/c1-14(16-2)3-4-15-6-13-7-8(10)11-5-12-9(7)15;/h5-6H,3-4H2,1-2H3,(H2,10,11,12);1H
InChIKeyUSUPHDJBWCSIDK-UHFFFAOYSA-N
XLogP0.32
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

9-[2-[2-(dimethylamino)ethoxy]ethyl]purin-6-amine
CID 15334366
9-[2-(methoxymethylamino)ethyl]purin-6-amine
CID 67932489
2-(6-aminopurin-9-yl)ethylazanium
CID 5248631
9-nonylpurin-6-amine
CID 3816519
4-(6-aminopurin-9-yl)-2-methylbutan-2-ol
CID 79360393
9-[2-(4-ethoxyphenoxy)ethyl]purin-6-amine;hydrochloride
CID 126459868
9-[3-[cyclopropylmethyl(methyl)amino]propyl]purin-6-amine
CID 62897430
N'-[4-(6-aminopurin-9-yl)-2-methoxybutyl]-N,N'-dimethylethane-1,2-diamine
CID 144572072
9-(3-fluoro-3-methoxy-2-phosphanylpropyl)purin-6-amine
CID 68636068
9-[2-[2-(6-aminopurin-9-yl)ethoxy-methylphosphoryl]oxyethyl]purin-6-amine
CID 175273885
2-(6-aminopurin-9-yl)ethyl-(2-hydroxyethyl)-dimethylazanium
CID 681975
9-(3-methoxy-2-phosphanylpropyl)purin-6-amine
CID 57195073

Frequently Asked Questions

What is the IUPAC name of 9-[2-[methoxy(methyl)amino]ethyl]purin-6-amine;hydrochloride?
The IUPAC name of 9-[2-[methoxy(methyl)amino]ethyl]purin-6-amine;hydrochloride (CID 88596334) is 9-[2-[methoxy(methyl)amino]ethyl]purin-6-amine;hydrochloride.
What is the SMILES notation for 9-[2-[methoxy(methyl)amino]ethyl]purin-6-amine;hydrochloride?
The canonical SMILES for 9-[2-[methoxy(methyl)amino]ethyl]purin-6-amine;hydrochloride is CON(C)CCn1cnc2c(N)ncnc21.Cl.
What is the InChIKey of 9-[2-[methoxy(methyl)amino]ethyl]purin-6-amine;hydrochloride?
The InChIKey is USUPHDJBWCSIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O.ClH/c1-14(16-2)3-4-15-6-13-7-8(10)11-5-12-9(7)15;/h5-6H,3-4H2,1-2H3,(H2,10,11,12);1H.
What are the key properties of 9-[2-[methoxy(methyl)amino]ethyl]purin-6-amine;hydrochloride?
9-[2-[methoxy(methyl)amino]ethyl]purin-6-amine;hydrochloride has a molecular weight of 258.71 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[methoxy(methyl)amino]ethyl]purin-6-amine;hydrochloride is sourced from PubChem (CID 88596334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).