ethane;N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]acetamide

C10H17N3O2 — CID 145341894

IUPACethane;N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]acetamide
SMILESCC.CC(=O)NCCc1ccnc(=O)[nH]1
InChIInChI=1S/C8H11N3O2.C2H6/c1-6(12)9-4-2-7-3-5-10-8(13)11-7;1-2/h3,5H,2,4H2,1H3,(H,9,12)(H,10,11,13);1-2H3
InChIKeyVVTIANZALREXQE-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.47
Rot. Bonds3

About ethane;N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]acetamide

ethane;N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]acetamide (PubChem CID 145341894) has the molecular formula C10H17N3O2 and a molecular weight of 211.27 g/mol. Its IUPAC name is ethane;N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]acetamide.

Molecular Properties

Compound Nameethane;N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]acetamide
PubChem CID145341894
Molecular FormulaC10H17N3O2
Molecular Weight211.27 g/mol
Exact Mass211.13
IUPAC Nameethane;N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]acetamide
SMILESCC.CC(=O)NCCc1ccnc(=O)[nH]1
InChIInChI=1S/C8H11N3O2.C2H6/c1-6(12)9-4-2-7-3-5-10-8(13)11-7;1-2/h3,5H,2,4H2,1H3,(H,9,12)(H,10,11,13);1-2H3
InChIKeyVVTIANZALREXQE-UHFFFAOYSA-N
XLogP0.47
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]acetamide?
The IUPAC name of ethane;N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]acetamide (CID 145341894) is ethane;N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]acetamide.
What is the SMILES notation for ethane;N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]acetamide?
The canonical SMILES for ethane;N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]acetamide is CC.CC(=O)NCCc1ccnc(=O)[nH]1.
What is the InChIKey of ethane;N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]acetamide?
The InChIKey is VVTIANZALREXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2.C2H6/c1-6(12)9-4-2-7-3-5-10-8(13)11-7;1-2/h3,5H,2,4H2,1H3,(H,9,12)(H,10,11,13);1-2H3.
What are the key properties of ethane;N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]acetamide?
ethane;N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]acetamide has a molecular weight of 211.27 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]acetamide is sourced from PubChem (CID 145341894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).