N-(2-methyl-4,6-dioxo-1H-pyrimidin-5-yl)acetamide

C7H9N3O3 — CID 24903599

IUPACN-(2-methyl-4,6-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCC(=O)NC1C(=O)N=C(C)NC1=O
InChIInChI=1S/C7H9N3O3/c1-3-8-6(12)5(7(13)9-3)10-4(2)11/h5H,1-2H3,(H,10,11)(H,8,9,12,13)
InChIKeyLGDYNZPRCYHWJT-UHFFFAOYSA-N
MW183.17 g/mol
LogP-1.43
Rot. Bonds1

About N-(2-methyl-4,6-dioxo-1H-pyrimidin-5-yl)acetamide

N-(2-methyl-4,6-dioxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 24903599) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is N-(2-methyl-4,6-dioxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-4,6-dioxo-1H-pyrimidin-5-yl)acetamide
PubChem CID24903599
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC NameN-(2-methyl-4,6-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCC(=O)NC1C(=O)N=C(C)NC1=O
InChIInChI=1S/C7H9N3O3/c1-3-8-6(12)5(7(13)9-3)10-4(2)11/h5H,1-2H3,(H,10,11)(H,8,9,12,13)
InChIKeyLGDYNZPRCYHWJT-UHFFFAOYSA-N
XLogP-1.43
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4,6-dioxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-(2-methyl-4,6-dioxo-1H-pyrimidin-5-yl)acetamide (CID 24903599) is N-(2-methyl-4,6-dioxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(2-methyl-4,6-dioxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(2-methyl-4,6-dioxo-1H-pyrimidin-5-yl)acetamide is CC(=O)NC1C(=O)N=C(C)NC1=O.
What is the InChIKey of N-(2-methyl-4,6-dioxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is LGDYNZPRCYHWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-3-8-6(12)5(7(13)9-3)10-4(2)11/h5H,1-2H3,(H,10,11)(H,8,9,12,13).
What are the key properties of N-(2-methyl-4,6-dioxo-1H-pyrimidin-5-yl)acetamide?
N-(2-methyl-4,6-dioxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 183.17 g/mol, XLogP of -1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4,6-dioxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 24903599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).