N-ethyl-2-(1,4,8,9-tetrahydropurin-7-yl)acetamide

C9H15N5O — CID 66762052

IUPACN-ethyl-2-(1,4,8,9-tetrahydropurin-7-yl)acetamide
SMILESCCNC(=O)CN1CNC2N=CNC=C21
InChIInChI=1S/C9H15N5O/c1-2-11-8(15)4-14-6-13-9-7(14)3-10-5-12-9/h3,5,9,13H,2,4,6H2,1H3,(H,10,12)(H,11,15)
InChIKeyQPISISKBLWSBMK-UHFFFAOYSA-N
MW209.25 g/mol
LogP-1.22
Rot. Bonds3

About N-ethyl-2-(1,4,8,9-tetrahydropurin-7-yl)acetamide

N-ethyl-2-(1,4,8,9-tetrahydropurin-7-yl)acetamide (PubChem CID 66762052) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is N-ethyl-2-(1,4,8,9-tetrahydropurin-7-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(1,4,8,9-tetrahydropurin-7-yl)acetamide
PubChem CID66762052
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC NameN-ethyl-2-(1,4,8,9-tetrahydropurin-7-yl)acetamide
SMILESCCNC(=O)CN1CNC2N=CNC=C21
InChIInChI=1S/C9H15N5O/c1-2-11-8(15)4-14-6-13-9-7(14)3-10-5-12-9/h3,5,9,13H,2,4,6H2,1H3,(H,10,12)(H,11,15)
InChIKeyQPISISKBLWSBMK-UHFFFAOYSA-N
XLogP-1.22
TPSA68.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1,4,8,9-tetrahydropurin-7-yl)acetamide?
The IUPAC name of N-ethyl-2-(1,4,8,9-tetrahydropurin-7-yl)acetamide (CID 66762052) is N-ethyl-2-(1,4,8,9-tetrahydropurin-7-yl)acetamide.
What is the SMILES notation for N-ethyl-2-(1,4,8,9-tetrahydropurin-7-yl)acetamide?
The canonical SMILES for N-ethyl-2-(1,4,8,9-tetrahydropurin-7-yl)acetamide is CCNC(=O)CN1CNC2N=CNC=C21.
What is the InChIKey of N-ethyl-2-(1,4,8,9-tetrahydropurin-7-yl)acetamide?
The InChIKey is QPISISKBLWSBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-2-11-8(15)4-14-6-13-9-7(14)3-10-5-12-9/h3,5,9,13H,2,4,6H2,1H3,(H,10,12)(H,11,15).
What are the key properties of N-ethyl-2-(1,4,8,9-tetrahydropurin-7-yl)acetamide?
N-ethyl-2-(1,4,8,9-tetrahydropurin-7-yl)acetamide has a molecular weight of 209.25 g/mol, XLogP of -1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1,4,8,9-tetrahydropurin-7-yl)acetamide is sourced from PubChem (CID 66762052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).