ethane;N-(1-methyl-2-oxopyrimidin-4-yl)acetamide

C9H15N3O2 — CID 162724368

IUPACethane;N-(1-methyl-2-oxopyrimidin-4-yl)acetamide
SMILESCC.CC(=O)Nc1ccn(C)c(=O)n1
InChIInChI=1S/C7H9N3O2.C2H6/c1-5(11)8-6-3-4-10(2)7(12)9-6;1-2/h3-4H,1-2H3,(H,8,9,11,12);1-2H3
InChIKeyQWHZLPQCSXMYBF-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.76
Rot. Bonds1

About ethane;N-(1-methyl-2-oxopyrimidin-4-yl)acetamide

ethane;N-(1-methyl-2-oxopyrimidin-4-yl)acetamide (PubChem CID 162724368) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is ethane;N-(1-methyl-2-oxopyrimidin-4-yl)acetamide.

Molecular Properties

Compound Nameethane;N-(1-methyl-2-oxopyrimidin-4-yl)acetamide
PubChem CID162724368
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Nameethane;N-(1-methyl-2-oxopyrimidin-4-yl)acetamide
SMILESCC.CC(=O)Nc1ccn(C)c(=O)n1
InChIInChI=1S/C7H9N3O2.C2H6/c1-5(11)8-6-3-4-10(2)7(12)9-6;1-2/h3-4H,1-2H3,(H,8,9,11,12);1-2H3
InChIKeyQWHZLPQCSXMYBF-UHFFFAOYSA-N
XLogP0.76
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(1-methyl-2-oxopyrimidin-4-yl)acetamide?
The IUPAC name of ethane;N-(1-methyl-2-oxopyrimidin-4-yl)acetamide (CID 162724368) is ethane;N-(1-methyl-2-oxopyrimidin-4-yl)acetamide.
What is the SMILES notation for ethane;N-(1-methyl-2-oxopyrimidin-4-yl)acetamide?
The canonical SMILES for ethane;N-(1-methyl-2-oxopyrimidin-4-yl)acetamide is CC.CC(=O)Nc1ccn(C)c(=O)n1.
What is the InChIKey of ethane;N-(1-methyl-2-oxopyrimidin-4-yl)acetamide?
The InChIKey is QWHZLPQCSXMYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2.C2H6/c1-5(11)8-6-3-4-10(2)7(12)9-6;1-2/h3-4H,1-2H3,(H,8,9,11,12);1-2H3.
What are the key properties of ethane;N-(1-methyl-2-oxopyrimidin-4-yl)acetamide?
ethane;N-(1-methyl-2-oxopyrimidin-4-yl)acetamide has a molecular weight of 197.24 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(1-methyl-2-oxopyrimidin-4-yl)acetamide is sourced from PubChem (CID 162724368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).