2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide

C12H19N3O3 — CID 60735082

IUPAC2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide
SMILESCCn1ccc(=O)n(CC(=O)NCC(C)C)c1=O
InChIInChI=1S/C12H19N3O3/c1-4-14-6-5-11(17)15(12(14)18)8-10(16)13-7-9(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,13,16)
InChIKeyWTVTYAFZSKVQFY-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.20
Rot. Bonds5

About 2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide

2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide (PubChem CID 60735082) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide
PubChem CID60735082
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide
SMILESCCn1ccc(=O)n(CC(=O)NCC(C)C)c1=O
InChIInChI=1S/C12H19N3O3/c1-4-14-6-5-11(17)15(12(14)18)8-10(16)13-7-9(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,13,16)
InChIKeyWTVTYAFZSKVQFY-UHFFFAOYSA-N
XLogP-0.20
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide (CID 60735082) is 2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide is CCn1ccc(=O)n(CC(=O)NCC(C)C)c1=O.
What is the InChIKey of 2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is WTVTYAFZSKVQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-4-14-6-5-11(17)15(12(14)18)8-10(16)13-7-9(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,13,16).
What are the key properties of 2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide?
2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 253.30 g/mol, XLogP of -0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 60735082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).