ethane;N-(5-methylpyrimidin-4-yl)acetamide

C11H21N3O — CID 144640649

IUPACethane;N-(5-methylpyrimidin-4-yl)acetamide
SMILESCC.CC.CC(=O)Nc1ncncc1C
InChIInChI=1S/C7H9N3O.2C2H6/c1-5-3-8-4-9-7(5)10-6(2)11;2*1-2/h3-4H,1-2H3,(H,8,9,10,11);2*1-2H3
InChIKeyOUFBKNYAQVWFTC-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.80
Rot. Bonds1

About ethane;N-(5-methylpyrimidin-4-yl)acetamide

ethane;N-(5-methylpyrimidin-4-yl)acetamide (PubChem CID 144640649) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is ethane;N-(5-methylpyrimidin-4-yl)acetamide.

Molecular Properties

Compound Nameethane;N-(5-methylpyrimidin-4-yl)acetamide
PubChem CID144640649
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Nameethane;N-(5-methylpyrimidin-4-yl)acetamide
SMILESCC.CC.CC(=O)Nc1ncncc1C
InChIInChI=1S/C7H9N3O.2C2H6/c1-5-3-8-4-9-7(5)10-6(2)11;2*1-2/h3-4H,1-2H3,(H,8,9,10,11);2*1-2H3
InChIKeyOUFBKNYAQVWFTC-UHFFFAOYSA-N
XLogP2.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(5-methylpyrimidin-4-yl)acetamide?
The IUPAC name of ethane;N-(5-methylpyrimidin-4-yl)acetamide (CID 144640649) is ethane;N-(5-methylpyrimidin-4-yl)acetamide.
What is the SMILES notation for ethane;N-(5-methylpyrimidin-4-yl)acetamide?
The canonical SMILES for ethane;N-(5-methylpyrimidin-4-yl)acetamide is CC.CC.CC(=O)Nc1ncncc1C.
What is the InChIKey of ethane;N-(5-methylpyrimidin-4-yl)acetamide?
The InChIKey is OUFBKNYAQVWFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O.2C2H6/c1-5-3-8-4-9-7(5)10-6(2)11;2*1-2/h3-4H,1-2H3,(H,8,9,10,11);2*1-2H3.
What are the key properties of ethane;N-(5-methylpyrimidin-4-yl)acetamide?
ethane;N-(5-methylpyrimidin-4-yl)acetamide has a molecular weight of 211.31 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(5-methylpyrimidin-4-yl)acetamide is sourced from PubChem (CID 144640649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).