N-(2-ethoxyphenyl)-2-iodo-9-(oxan-2-yl)purin-6-amine

C18H20IN5O2 — CID 146575249

IUPACN-(2-ethoxyphenyl)-2-iodo-9-(oxan-2-yl)purin-6-amine
SMILESCCOc1ccccc1Nc1nc(I)nc2c1ncn2C1CCCCO1
InChIInChI=1S/C18H20IN5O2/c1-2-25-13-8-4-3-7-12(13)21-16-15-17(23-18(19)22-16)24(11-20-15)14-9-5-6-10-26-14/h3-4,7-8,11,14H,2,5-6,9-10H2,1H3,(H,21,22,23)
InChIKeyOFEQWKWEBFQCNP-UHFFFAOYSA-N
MW465.30 g/mol
LogP4.27
Rot. Bonds5

About N-(2-ethoxyphenyl)-2-iodo-9-(oxan-2-yl)purin-6-amine

N-(2-ethoxyphenyl)-2-iodo-9-(oxan-2-yl)purin-6-amine (PubChem CID 146575249) has the molecular formula C18H20IN5O2 and a molecular weight of 465.30 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-iodo-9-(oxan-2-yl)purin-6-amine.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-iodo-9-(oxan-2-yl)purin-6-amine
PubChem CID146575249
Molecular FormulaC18H20IN5O2
Molecular Weight465.30 g/mol
Exact Mass465.07
IUPAC NameN-(2-ethoxyphenyl)-2-iodo-9-(oxan-2-yl)purin-6-amine
SMILESCCOc1ccccc1Nc1nc(I)nc2c1ncn2C1CCCCO1
InChIInChI=1S/C18H20IN5O2/c1-2-25-13-8-4-3-7-12(13)21-16-15-17(23-18(19)22-16)24(11-20-15)14-9-5-6-10-26-14/h3-4,7-8,11,14H,2,5-6,9-10H2,1H3,(H,21,22,23)
InChIKeyOFEQWKWEBFQCNP-UHFFFAOYSA-N
XLogP4.27
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.30
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-(2-ethoxyphenyl)-2-iodo-9-(oxan-2-yl)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

2-chloro-N-(2-ethoxyphenyl)-9-(oxolan-2-yl)purin-6-amine
CID 146574952
N-(2-bromo-3-methoxyphenyl)-2-iodo-9-(oxan-2-yl)purin-6-amine
CID 146575136
N-(2-ethoxyphenyl)-2-methylsulfanyl-9-(oxolan-2-yl)purin-6-amine
CID 146575012
3-[[2-iodo-9-(oxan-2-yl)purin-6-yl]amino]-2-methoxyphenol
CID 146574778
N-(2,5-dimethoxyphenyl)-2-iodo-9-(oxan-2-yl)purin-6-amine
CID 146575045
6-(2-ethoxyanilino)-9-(oxolan-2-yl)-1H-purine-2-thione
CID 146575193
N-(2,3-dichlorophenyl)-2-iodo-9-(oxolan-2-yl)purin-6-amine
CID 146574757
5-[[2-iodo-9-(oxan-2-yl)purin-6-yl]amino]-2-methoxyphenol
CID 146574566
N-cyclopropyl-2-iodo-9-(oxan-2-yl)purin-6-amine
CID 141152403
2-bromo-N-(2,3-dimethoxyphenyl)-9-(oxan-2-yl)purin-6-amine
CID 146574607
N-(2,3-dimethoxyphenyl)-2-fluoro-9-(oxepan-2-yl)purin-6-amine
CID 162440937
N-(4-ethoxyphenyl)-2-fluoro-9-(oxan-2-yl)purin-6-amine
CID 146575289

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-iodo-9-(oxan-2-yl)purin-6-amine?
The IUPAC name of N-(2-ethoxyphenyl)-2-iodo-9-(oxan-2-yl)purin-6-amine (CID 146575249) is N-(2-ethoxyphenyl)-2-iodo-9-(oxan-2-yl)purin-6-amine.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-iodo-9-(oxan-2-yl)purin-6-amine?
The canonical SMILES for N-(2-ethoxyphenyl)-2-iodo-9-(oxan-2-yl)purin-6-amine is CCOc1ccccc1Nc1nc(I)nc2c1ncn2C1CCCCO1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-iodo-9-(oxan-2-yl)purin-6-amine?
The InChIKey is OFEQWKWEBFQCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20IN5O2/c1-2-25-13-8-4-3-7-12(13)21-16-15-17(23-18(19)22-16)24(11-20-15)14-9-5-6-10-26-14/h3-4,7-8,11,14H,2,5-6,9-10H2,1H3,(H,21,22,23).
What are the key properties of N-(2-ethoxyphenyl)-2-iodo-9-(oxan-2-yl)purin-6-amine?
N-(2-ethoxyphenyl)-2-iodo-9-(oxan-2-yl)purin-6-amine has a molecular weight of 465.30 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-iodo-9-(oxan-2-yl)purin-6-amine is sourced from PubChem (CID 146575249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).