2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylacetamide

C9H11N3O4 — CID 80643694

IUPAC2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylacetamide
SMILESCNC(=O)Cn1c(=O)[nH]cc(C(C)=O)c1=O
InChIInChI=1S/C9H11N3O4/c1-5(13)6-3-11-9(16)12(8(6)15)4-7(14)10-2/h3H,4H2,1-2H3,(H,10,14)(H,11,16)
InChIKeyKIQPHBANMDZYEN-UHFFFAOYSA-N
MW225.20 g/mol
LogP-1.51
Rot. Bonds3

About 2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylacetamide

2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylacetamide (PubChem CID 80643694) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylacetamide
PubChem CID80643694
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylacetamide
SMILESCNC(=O)Cn1c(=O)[nH]cc(C(C)=O)c1=O
InChIInChI=1S/C9H11N3O4/c1-5(13)6-3-11-9(16)12(8(6)15)4-7(14)10-2/h3H,4H2,1-2H3,(H,10,14)(H,11,16)
InChIKeyKIQPHBANMDZYEN-UHFFFAOYSA-N
XLogP-1.51
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylacetamide?
The IUPAC name of 2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylacetamide (CID 80643694) is 2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylacetamide.
What is the SMILES notation for 2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylacetamide?
The canonical SMILES for 2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylacetamide is CNC(=O)Cn1c(=O)[nH]cc(C(C)=O)c1=O.
What is the InChIKey of 2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylacetamide?
The InChIKey is KIQPHBANMDZYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-5(13)6-3-11-9(16)12(8(6)15)4-7(14)10-2/h3H,4H2,1-2H3,(H,10,14)(H,11,16).
What are the key properties of 2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylacetamide?
2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylacetamide has a molecular weight of 225.20 g/mol, XLogP of -1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylacetamide is sourced from PubChem (CID 80643694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).