9-[2-[ethyl(methyl)amino]-1-methoxyethyl]purin-6-amine

C11H18N6O — CID 170584752

IUPAC9-[2-[ethyl(methyl)amino]-1-methoxyethyl]purin-6-amine
SMILESCCN(C)CC(OC)n1cnc2c(N)ncnc21
InChIInChI=1S/C11H18N6O/c1-4-16(2)5-8(18-3)17-7-15-9-10(12)13-6-14-11(9)17/h6-8H,4-5H2,1-3H3,(H2,12,13,14)
InChIKeyZMQANACLORGDMO-UHFFFAOYSA-N
MW250.31 g/mol
LogP0.51
Rot. Bonds5

About 9-[2-[ethyl(methyl)amino]-1-methoxyethyl]purin-6-amine

9-[2-[ethyl(methyl)amino]-1-methoxyethyl]purin-6-amine (PubChem CID 170584752) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is 9-[2-[ethyl(methyl)amino]-1-methoxyethyl]purin-6-amine.

Molecular Properties

Compound Name9-[2-[ethyl(methyl)amino]-1-methoxyethyl]purin-6-amine
PubChem CID170584752
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name9-[2-[ethyl(methyl)amino]-1-methoxyethyl]purin-6-amine
SMILESCCN(C)CC(OC)n1cnc2c(N)ncnc21
InChIInChI=1S/C11H18N6O/c1-4-16(2)5-8(18-3)17-7-15-9-10(12)13-6-14-11(9)17/h6-8H,4-5H2,1-3H3,(H2,12,13,14)
InChIKeyZMQANACLORGDMO-UHFFFAOYSA-N
XLogP0.51
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(6-aminopurin-9-yl)-2-methoxyethyl]phosphonic acid
CID 68654544
(3R,5R)-5-(6-aminopurin-9-yl)-5-methoxypentane-1,3-diol
CID 139454133
9-[1-[(3S)-2-methoxypentan-3-yl]oxyethyl]purin-6-amine
CID 173465384
(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-methoxyethoxy]butan-1-ol
CID 171447656
9-(1-aminopentyl)purin-6-amine
CID 174938588
9-[1-[(3S)-1,2-dimethoxypentan-3-yl]oxyethyl]purin-6-amine
CID 173465414
9-(3-methoxy-2-phosphanylpropyl)purin-6-amine
CID 57195073
9-(3-fluoro-3-methoxy-2-phosphanylpropyl)purin-6-amine
CID 68636068
(2S,3S)-3-(6-aminopurin-9-yl)hexan-2-ol
CID 67145035
[(6-aminopurin-9-yl)-methoxymethyl] methyl hydrogen phosphate
CID 134423839
sodium;1-(6-aminopurin-9-yl)-4-methanidylpentan-1-ol;propane
CID 155737450
9-[2-[methoxy(methyl)amino]ethyl]purin-6-amine;hydrochloride
CID 88596334

Frequently Asked Questions

What is the IUPAC name of 9-[2-[ethyl(methyl)amino]-1-methoxyethyl]purin-6-amine?
The IUPAC name of 9-[2-[ethyl(methyl)amino]-1-methoxyethyl]purin-6-amine (CID 170584752) is 9-[2-[ethyl(methyl)amino]-1-methoxyethyl]purin-6-amine.
What is the SMILES notation for 9-[2-[ethyl(methyl)amino]-1-methoxyethyl]purin-6-amine?
The canonical SMILES for 9-[2-[ethyl(methyl)amino]-1-methoxyethyl]purin-6-amine is CCN(C)CC(OC)n1cnc2c(N)ncnc21.
What is the InChIKey of 9-[2-[ethyl(methyl)amino]-1-methoxyethyl]purin-6-amine?
The InChIKey is ZMQANACLORGDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O/c1-4-16(2)5-8(18-3)17-7-15-9-10(12)13-6-14-11(9)17/h6-8H,4-5H2,1-3H3,(H2,12,13,14).
What are the key properties of 9-[2-[ethyl(methyl)amino]-1-methoxyethyl]purin-6-amine?
9-[2-[ethyl(methyl)amino]-1-methoxyethyl]purin-6-amine has a molecular weight of 250.31 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[ethyl(methyl)amino]-1-methoxyethyl]purin-6-amine is sourced from PubChem (CID 170584752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).