N-(6-ethoxypyrimidin-4-yl)acetamide

C8H11N3O2 — CID 71795776

IUPACN-(6-ethoxypyrimidin-4-yl)acetamide
SMILESCCOc1cc(NC(C)=O)ncn1
InChIInChI=1S/C8H11N3O2/c1-3-13-8-4-7(9-5-10-8)11-6(2)12/h4-5H,3H2,1-2H3,(H,9,10,11,12)
InChIKeyGAQDODSLMQBZBO-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.83
Rot. Bonds3

About N-(6-ethoxypyrimidin-4-yl)acetamide

N-(6-ethoxypyrimidin-4-yl)acetamide (PubChem CID 71795776) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is N-(6-ethoxypyrimidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(6-ethoxypyrimidin-4-yl)acetamide
PubChem CID71795776
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC NameN-(6-ethoxypyrimidin-4-yl)acetamide
SMILESCCOc1cc(NC(C)=O)ncn1
InChIInChI=1S/C8H11N3O2/c1-3-13-8-4-7(9-5-10-8)11-6(2)12/h4-5H,3H2,1-2H3,(H,9,10,11,12)
InChIKeyGAQDODSLMQBZBO-UHFFFAOYSA-N
XLogP0.83
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxypyrimidin-4-yl)acetamide?
The IUPAC name of N-(6-ethoxypyrimidin-4-yl)acetamide (CID 71795776) is N-(6-ethoxypyrimidin-4-yl)acetamide.
What is the SMILES notation for N-(6-ethoxypyrimidin-4-yl)acetamide?
The canonical SMILES for N-(6-ethoxypyrimidin-4-yl)acetamide is CCOc1cc(NC(C)=O)ncn1.
What is the InChIKey of N-(6-ethoxypyrimidin-4-yl)acetamide?
The InChIKey is GAQDODSLMQBZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-3-13-8-4-7(9-5-10-8)11-6(2)12/h4-5H,3H2,1-2H3,(H,9,10,11,12).
What are the key properties of N-(6-ethoxypyrimidin-4-yl)acetamide?
N-(6-ethoxypyrimidin-4-yl)acetamide has a molecular weight of 181.19 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxypyrimidin-4-yl)acetamide is sourced from PubChem (CID 71795776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).