N-acetyl-N-(1-acetyl-2-oxopyrimidin-4-yl)acetamide

C10H11N3O4 — CID 67640462

IUPACN-acetyl-N-(1-acetyl-2-oxopyrimidin-4-yl)acetamide
SMILESCC(=O)N(C(C)=O)c1ccn(C(C)=O)c(=O)n1
InChIInChI=1S/C10H11N3O4/c1-6(14)12-5-4-9(11-10(12)17)13(7(2)15)8(3)16/h4-5H,1-3H3
InChIKeyWGUIBCQRRJFDRZ-UHFFFAOYSA-N
MW237.22 g/mol
LogP-0.20
Rot. Bonds1

About N-acetyl-N-(1-acetyl-2-oxopyrimidin-4-yl)acetamide

N-acetyl-N-(1-acetyl-2-oxopyrimidin-4-yl)acetamide (PubChem CID 67640462) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is N-acetyl-N-(1-acetyl-2-oxopyrimidin-4-yl)acetamide.

Molecular Properties

Compound NameN-acetyl-N-(1-acetyl-2-oxopyrimidin-4-yl)acetamide
PubChem CID67640462
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC NameN-acetyl-N-(1-acetyl-2-oxopyrimidin-4-yl)acetamide
SMILESCC(=O)N(C(C)=O)c1ccn(C(C)=O)c(=O)n1
InChIInChI=1S/C10H11N3O4/c1-6(14)12-5-4-9(11-10(12)17)13(7(2)15)8(3)16/h4-5H,1-3H3
InChIKeyWGUIBCQRRJFDRZ-UHFFFAOYSA-N
XLogP-0.20
TPSA89.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-(1-acetyl-2-oxopyrimidin-4-yl)acetamide?
The IUPAC name of N-acetyl-N-(1-acetyl-2-oxopyrimidin-4-yl)acetamide (CID 67640462) is N-acetyl-N-(1-acetyl-2-oxopyrimidin-4-yl)acetamide.
What is the SMILES notation for N-acetyl-N-(1-acetyl-2-oxopyrimidin-4-yl)acetamide?
The canonical SMILES for N-acetyl-N-(1-acetyl-2-oxopyrimidin-4-yl)acetamide is CC(=O)N(C(C)=O)c1ccn(C(C)=O)c(=O)n1.
What is the InChIKey of N-acetyl-N-(1-acetyl-2-oxopyrimidin-4-yl)acetamide?
The InChIKey is WGUIBCQRRJFDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c1-6(14)12-5-4-9(11-10(12)17)13(7(2)15)8(3)16/h4-5H,1-3H3.
What are the key properties of N-acetyl-N-(1-acetyl-2-oxopyrimidin-4-yl)acetamide?
N-acetyl-N-(1-acetyl-2-oxopyrimidin-4-yl)acetamide has a molecular weight of 237.22 g/mol, XLogP of -0.20, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-(1-acetyl-2-oxopyrimidin-4-yl)acetamide is sourced from PubChem (CID 67640462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).