2-chloro-N-(2-ethoxyethyl)-7H-purin-6-amine

C9H12ClN5O — CID 104697509

IUPAC2-chloro-N-(2-ethoxyethyl)-7H-purin-6-amine
SMILESCCOCCNc1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C9H12ClN5O/c1-2-16-4-3-11-7-6-8(13-5-12-6)15-9(10)14-7/h5H,2-4H2,1H3,(H2,11,12,13,14,15)
InChIKeyDNROYVSVCABSBK-UHFFFAOYSA-N
MW241.68 g/mol
LogP1.45
Rot. Bonds5

About 2-chloro-N-(2-ethoxyethyl)-7H-purin-6-amine

2-chloro-N-(2-ethoxyethyl)-7H-purin-6-amine (PubChem CID 104697509) has the molecular formula C9H12ClN5O and a molecular weight of 241.68 g/mol. Its IUPAC name is 2-chloro-N-(2-ethoxyethyl)-7H-purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-(2-ethoxyethyl)-7H-purin-6-amine
PubChem CID104697509
Molecular FormulaC9H12ClN5O
Molecular Weight241.68 g/mol
Exact Mass241.07
IUPAC Name2-chloro-N-(2-ethoxyethyl)-7H-purin-6-amine
SMILESCCOCCNc1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C9H12ClN5O/c1-2-16-4-3-11-7-6-8(13-5-12-6)15-9(10)14-7/h5H,2-4H2,1H3,(H2,11,12,13,14,15)
InChIKeyDNROYVSVCABSBK-UHFFFAOYSA-N
XLogP1.45
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethoxyethyl)-7H-purin-6-amine?
The IUPAC name of 2-chloro-N-(2-ethoxyethyl)-7H-purin-6-amine (CID 104697509) is 2-chloro-N-(2-ethoxyethyl)-7H-purin-6-amine.
What is the SMILES notation for 2-chloro-N-(2-ethoxyethyl)-7H-purin-6-amine?
The canonical SMILES for 2-chloro-N-(2-ethoxyethyl)-7H-purin-6-amine is CCOCCNc1nc(Cl)nc2nc[nH]c12.
What is the InChIKey of 2-chloro-N-(2-ethoxyethyl)-7H-purin-6-amine?
The InChIKey is DNROYVSVCABSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN5O/c1-2-16-4-3-11-7-6-8(13-5-12-6)15-9(10)14-7/h5H,2-4H2,1H3,(H2,11,12,13,14,15).
What are the key properties of 2-chloro-N-(2-ethoxyethyl)-7H-purin-6-amine?
2-chloro-N-(2-ethoxyethyl)-7H-purin-6-amine has a molecular weight of 241.68 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethoxyethyl)-7H-purin-6-amine is sourced from PubChem (CID 104697509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).