2-anilino-9-(2-methoxyethyl)-1H-purin-6-one

C14H15N5O2 — CID 135410306

IUPAC2-anilino-9-(2-methoxyethyl)-1H-purin-6-one
SMILESCOCCn1cnc2c(=O)[nH]c(Nc3ccccc3)nc21
InChIInChI=1S/C14H15N5O2/c1-21-8-7-19-9-15-11-12(19)17-14(18-13(11)20)16-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,16,17,18,20)
InChIKeyGAGYIXNTGLUHEZ-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.51
Rot. Bonds5

About 2-anilino-9-(2-methoxyethyl)-1H-purin-6-one

2-anilino-9-(2-methoxyethyl)-1H-purin-6-one (PubChem CID 135410306) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-anilino-9-(2-methoxyethyl)-1H-purin-6-one.

Molecular Properties

Compound Name2-anilino-9-(2-methoxyethyl)-1H-purin-6-one
PubChem CID135410306
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name2-anilino-9-(2-methoxyethyl)-1H-purin-6-one
SMILESCOCCn1cnc2c(=O)[nH]c(Nc3ccccc3)nc21
InChIInChI=1S/C14H15N5O2/c1-21-8-7-19-9-15-11-12(19)17-14(18-13(11)20)16-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,16,17,18,20)
InChIKeyGAGYIXNTGLUHEZ-UHFFFAOYSA-N
XLogP1.51
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-9-(2-methoxyethyl)-1H-purin-6-one?
The IUPAC name of 2-anilino-9-(2-methoxyethyl)-1H-purin-6-one (CID 135410306) is 2-anilino-9-(2-methoxyethyl)-1H-purin-6-one.
What is the SMILES notation for 2-anilino-9-(2-methoxyethyl)-1H-purin-6-one?
The canonical SMILES for 2-anilino-9-(2-methoxyethyl)-1H-purin-6-one is COCCn1cnc2c(=O)[nH]c(Nc3ccccc3)nc21.
What is the InChIKey of 2-anilino-9-(2-methoxyethyl)-1H-purin-6-one?
The InChIKey is GAGYIXNTGLUHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-21-8-7-19-9-15-11-12(19)17-14(18-13(11)20)16-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,16,17,18,20).
What are the key properties of 2-anilino-9-(2-methoxyethyl)-1H-purin-6-one?
2-anilino-9-(2-methoxyethyl)-1H-purin-6-one has a molecular weight of 285.31 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-9-(2-methoxyethyl)-1H-purin-6-one is sourced from PubChem (CID 135410306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).