2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide

C7H9N3O3 — CID 60699315

IUPAC2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C7H9N3O3/c1-8-6(12)4-10-3-2-5(11)9-7(10)13/h2-3H,4H2,1H3,(H,8,12)(H,9,11,13)
InChIKeyIHWCHYICPQAOMV-UHFFFAOYSA-N
MW183.17 g/mol
LogP-1.72
Rot. Bonds2

About 2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide

2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide (PubChem CID 60699315) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide
PubChem CID60699315
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C7H9N3O3/c1-8-6(12)4-10-3-2-5(11)9-7(10)13/h2-3H,4H2,1H3,(H,8,12)(H,9,11,13)
InChIKeyIHWCHYICPQAOMV-UHFFFAOYSA-N
XLogP-1.72
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-1.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide (CID 60699315) is 2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide is CNC(=O)Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide?
The InChIKey is IHWCHYICPQAOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-8-6(12)4-10-3-2-5(11)9-7(10)13/h2-3H,4H2,1H3,(H,8,12)(H,9,11,13).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide?
2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide has a molecular weight of 183.17 g/mol, XLogP of -1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide is sourced from PubChem (CID 60699315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).