ethane;2-(6-oxo-1H-pyrimidin-2-yl)acetamide

C8H13N3O2 — CID 143594658

IUPACethane;2-(6-oxo-1H-pyrimidin-2-yl)acetamide
SMILESCC.NC(=O)Cc1nccc(=O)[nH]1
InChIInChI=1S/C6H7N3O2.C2H6/c7-4(10)3-5-8-2-1-6(11)9-5;1-2/h1-2H,3H2,(H2,7,10)(H,8,9,11);1-2H3
InChIKeyKWOAWWPNHXLZTK-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.18
Rot. Bonds2

About ethane;2-(6-oxo-1H-pyrimidin-2-yl)acetamide

ethane;2-(6-oxo-1H-pyrimidin-2-yl)acetamide (PubChem CID 143594658) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is ethane;2-(6-oxo-1H-pyrimidin-2-yl)acetamide.

Molecular Properties

Compound Nameethane;2-(6-oxo-1H-pyrimidin-2-yl)acetamide
PubChem CID143594658
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Nameethane;2-(6-oxo-1H-pyrimidin-2-yl)acetamide
SMILESCC.NC(=O)Cc1nccc(=O)[nH]1
InChIInChI=1S/C6H7N3O2.C2H6/c7-4(10)3-5-8-2-1-6(11)9-5;1-2/h1-2H,3H2,(H2,7,10)(H,8,9,11);1-2H3
InChIKeyKWOAWWPNHXLZTK-UHFFFAOYSA-N
XLogP-0.18
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(6-oxo-1H-pyrimidin-2-yl)acetamide?
The IUPAC name of ethane;2-(6-oxo-1H-pyrimidin-2-yl)acetamide (CID 143594658) is ethane;2-(6-oxo-1H-pyrimidin-2-yl)acetamide.
What is the SMILES notation for ethane;2-(6-oxo-1H-pyrimidin-2-yl)acetamide?
The canonical SMILES for ethane;2-(6-oxo-1H-pyrimidin-2-yl)acetamide is CC.NC(=O)Cc1nccc(=O)[nH]1.
What is the InChIKey of ethane;2-(6-oxo-1H-pyrimidin-2-yl)acetamide?
The InChIKey is KWOAWWPNHXLZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2.C2H6/c7-4(10)3-5-8-2-1-6(11)9-5;1-2/h1-2H,3H2,(H2,7,10)(H,8,9,11);1-2H3.
What are the key properties of ethane;2-(6-oxo-1H-pyrimidin-2-yl)acetamide?
ethane;2-(6-oxo-1H-pyrimidin-2-yl)acetamide has a molecular weight of 183.21 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(6-oxo-1H-pyrimidin-2-yl)acetamide is sourced from PubChem (CID 143594658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).