N-(2,6-dimethoxypyrimidin-4-yl)acetamide

C8H11N3O3 — CID 685548

IUPACN-(2,6-dimethoxypyrimidin-4-yl)acetamide
SMILESCOc1cc(NC(C)=O)nc(OC)n1
InChIInChI=1S/C8H11N3O3/c1-5(12)9-6-4-7(13-2)11-8(10-6)14-3/h4H,1-3H3,(H,9,10,11,12)
InChIKeyTYDCTTYJOZGUPU-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.45
Rot. Bonds3

About N-(2,6-dimethoxypyrimidin-4-yl)acetamide

N-(2,6-dimethoxypyrimidin-4-yl)acetamide (PubChem CID 685548) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is N-(2,6-dimethoxypyrimidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-dimethoxypyrimidin-4-yl)acetamide
PubChem CID685548
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC NameN-(2,6-dimethoxypyrimidin-4-yl)acetamide
SMILESCOc1cc(NC(C)=O)nc(OC)n1
InChIInChI=1S/C8H11N3O3/c1-5(12)9-6-4-7(13-2)11-8(10-6)14-3/h4H,1-3H3,(H,9,10,11,12)
InChIKeyTYDCTTYJOZGUPU-UHFFFAOYSA-N
XLogP0.45
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethoxypyrimidin-4-yl)acetamide?
The IUPAC name of N-(2,6-dimethoxypyrimidin-4-yl)acetamide (CID 685548) is N-(2,6-dimethoxypyrimidin-4-yl)acetamide.
What is the SMILES notation for N-(2,6-dimethoxypyrimidin-4-yl)acetamide?
The canonical SMILES for N-(2,6-dimethoxypyrimidin-4-yl)acetamide is COc1cc(NC(C)=O)nc(OC)n1.
What is the InChIKey of N-(2,6-dimethoxypyrimidin-4-yl)acetamide?
The InChIKey is TYDCTTYJOZGUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-5(12)9-6-4-7(13-2)11-8(10-6)14-3/h4H,1-3H3,(H,9,10,11,12).
What are the key properties of N-(2,6-dimethoxypyrimidin-4-yl)acetamide?
N-(2,6-dimethoxypyrimidin-4-yl)acetamide has a molecular weight of 197.19 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethoxypyrimidin-4-yl)acetamide is sourced from PubChem (CID 685548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).