9-(2-methoxyiminoethyl)purin-6-amine

C8H10N6O — CID 173359043

IUPAC9-(2-methoxyiminoethyl)purin-6-amine
SMILESCON=CCn1cnc2c(N)ncnc21
InChIInChI=1S/C8H10N6O/c1-15-13-2-3-14-5-12-6-7(9)10-4-11-8(6)14/h2,4-5H,3H2,1H3,(H2,9,10,11)
InChIKeyRYGCJPOUQDAVMA-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.04
Rot. Bonds3

About 9-(2-methoxyiminoethyl)purin-6-amine

9-(2-methoxyiminoethyl)purin-6-amine (PubChem CID 173359043) has the molecular formula C8H10N6O and a molecular weight of 206.21 g/mol. Its IUPAC name is 9-(2-methoxyiminoethyl)purin-6-amine.

Molecular Properties

Compound Name9-(2-methoxyiminoethyl)purin-6-amine
PubChem CID173359043
Molecular FormulaC8H10N6O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name9-(2-methoxyiminoethyl)purin-6-amine
SMILESCON=CCn1cnc2c(N)ncnc21
InChIInChI=1S/C8H10N6O/c1-15-13-2-3-14-5-12-6-7(9)10-4-11-8(6)14/h2,4-5H,3H2,1H3,(H2,9,10,11)
InChIKeyRYGCJPOUQDAVMA-UHFFFAOYSA-N
XLogP0.04
TPSA91.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 9-(2-methoxyiminoethyl)purin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(4-aminobut-2-enyl)purin-6-amine
CID 73233001
9-[(E)-4-chlorobut-2-enyl]purin-6-amine
CID 14408818
(E)-5-(6-aminopurin-9-yl)pent-3-en-2-one
CID 71531295
[(E)-1-[(6-aminopurin-9-yl)methoxy]prop-1-enyl]phosphonic acid
CID 67880418
1-(6-aminopurin-9-yl)-3,3-dimethylbutan-2-one
CID 62023866
4-(6-aminopurin-9-yl)-2-methylbutan-2-ol
CID 79360393
9-[2-[methoxy(methyl)amino]ethyl]purin-6-amine;hydrochloride
CID 88596334
9-[2-(methoxymethylamino)ethyl]purin-6-amine
CID 67932489
[2-[2-(6-aminopurin-9-yl)ethylidene]cyclobutyl]methanol
CID 71427271
9-(3-methoxy-2-phosphanylpropyl)purin-6-amine
CID 57195073
9-(3-fluoro-3-methoxy-2-phosphanylpropyl)purin-6-amine
CID 68636068
2-(6-aminopurin-9-yl)ethylazanium
CID 5248631

Frequently Asked Questions

What is the IUPAC name of 9-(2-methoxyiminoethyl)purin-6-amine?
The IUPAC name of 9-(2-methoxyiminoethyl)purin-6-amine (CID 173359043) is 9-(2-methoxyiminoethyl)purin-6-amine.
What is the SMILES notation for 9-(2-methoxyiminoethyl)purin-6-amine?
The canonical SMILES for 9-(2-methoxyiminoethyl)purin-6-amine is CON=CCn1cnc2c(N)ncnc21.
What is the InChIKey of 9-(2-methoxyiminoethyl)purin-6-amine?
The InChIKey is RYGCJPOUQDAVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O/c1-15-13-2-3-14-5-12-6-7(9)10-4-11-8(6)14/h2,4-5H,3H2,1H3,(H2,9,10,11).
What are the key properties of 9-(2-methoxyiminoethyl)purin-6-amine?
9-(2-methoxyiminoethyl)purin-6-amine has a molecular weight of 206.21 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxyiminoethyl)purin-6-amine is sourced from PubChem (CID 173359043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).