2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-methylacetamide

C7H9N3O3 — CID 2149959

IUPAC2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-methylacetamide
SMILESCNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C7H9N3O3/c1-8-5(11)2-4-3-6(12)10-7(13)9-4/h3H,2H2,1H3,(H,8,11)(H2,9,10,12,13)
InChIKeyXLROIDXYLRDZFN-UHFFFAOYSA-N
MW183.17 g/mol
LogP-1.65
Rot. Bonds2

About 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-methylacetamide

2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-methylacetamide (PubChem CID 2149959) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-methylacetamide
PubChem CID2149959
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-methylacetamide
SMILESCNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C7H9N3O3/c1-8-5(11)2-4-3-6(12)10-7(13)9-4/h3H,2H2,1H3,(H,8,11)(H2,9,10,12,13)
InChIKeyXLROIDXYLRDZFN-UHFFFAOYSA-N
XLogP-1.65
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-1.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-methylacetamide?
The IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-methylacetamide (CID 2149959) is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-methylacetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-methylacetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-methylacetamide is CNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-methylacetamide?
The InChIKey is XLROIDXYLRDZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-8-5(11)2-4-3-6(12)10-7(13)9-4/h3H,2H2,1H3,(H,8,11)(H2,9,10,12,13).
What are the key properties of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-methylacetamide?
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-methylacetamide has a molecular weight of 183.17 g/mol, XLogP of -1.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-methylacetamide is sourced from PubChem (CID 2149959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).