2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-yl-N-prop-2-enylacetamide

C13H19N3O3 — CID 56714018

IUPAC2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-yl-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O)C(C)C
InChIInChI=1S/C13H19N3O3/c1-5-6-16(8(2)3)11(17)7-10-9(4)14-13(19)15-12(10)18/h5,8H,1,6-7H2,2-4H3,(H2,14,15,18,19)
InChIKeySZIRRCVAJXNEJM-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.34
Rot. Bonds5

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

2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-yl-N-prop-2-enylacetamide (PubChem CID 56714018) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-yl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-yl-N-prop-2-enylacetamide
PubChem CID56714018
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-yl-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O)C(C)C
InChIInChI=1S/C13H19N3O3/c1-5-6-16(8(2)3)11(17)7-10-9(4)14-13(19)15-12(10)18/h5,8H,1,6-7H2,2-4H3,(H2,14,15,18,19)
InChIKeySZIRRCVAJXNEJM-UHFFFAOYSA-N
XLogP0.34
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-yl-N-prop-2-enylacetamide?
The IUPAC name of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-yl-N-prop-2-enylacetamide (CID 56714018) is 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-yl-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-yl-N-prop-2-enylacetamide?
The canonical SMILES for 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-yl-N-prop-2-enylacetamide is C=CCN(C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O)C(C)C.
What is the InChIKey of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-yl-N-prop-2-enylacetamide?
The InChIKey is SZIRRCVAJXNEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-5-6-16(8(2)3)11(17)7-10-9(4)14-13(19)15-12(10)18/h5,8H,1,6-7H2,2-4H3,(H2,14,15,18,19).
What are the key properties of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-yl-N-prop-2-enylacetamide?
2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-yl-N-prop-2-enylacetamide has a molecular weight of 265.31 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-yl-N-prop-2-enylacetamide is sourced from PubChem (CID 56714018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).