2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-propylacetamide

C12H17N3O4 — CID 80501555

IUPAC2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1cc(C(C)=O)c(=O)n(C)c1=O
InChIInChI=1S/C12H17N3O4/c1-4-5-13-10(17)7-15-6-9(8(2)16)11(18)14(3)12(15)19/h6H,4-5,7H2,1-3H3,(H,13,17)
InChIKeyXPTBBBSNODYRGS-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.72
Rot. Bonds5

About 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-propylacetamide

2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-propylacetamide (PubChem CID 80501555) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-propylacetamide
PubChem CID80501555
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1cc(C(C)=O)c(=O)n(C)c1=O
InChIInChI=1S/C12H17N3O4/c1-4-5-13-10(17)7-15-6-9(8(2)16)11(18)14(3)12(15)19/h6H,4-5,7H2,1-3H3,(H,13,17)
InChIKeyXPTBBBSNODYRGS-UHFFFAOYSA-N
XLogP-0.72
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-propylacetamide?
The IUPAC name of 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-propylacetamide (CID 80501555) is 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-propylacetamide.
What is the SMILES notation for 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-propylacetamide?
The canonical SMILES for 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-propylacetamide is CCCNC(=O)Cn1cc(C(C)=O)c(=O)n(C)c1=O.
What is the InChIKey of 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-propylacetamide?
The InChIKey is XPTBBBSNODYRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-4-5-13-10(17)7-15-6-9(8(2)16)11(18)14(3)12(15)19/h6H,4-5,7H2,1-3H3,(H,13,17).
What are the key properties of 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-propylacetamide?
2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-propylacetamide has a molecular weight of 267.28 g/mol, XLogP of -0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-propylacetamide is sourced from PubChem (CID 80501555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).