4-[(2,6-dioxo-3-propylpyrimidin-1-yl)methyl]benzamide

C15H17N3O3 — CID 63811248

IUPAC4-[(2,6-dioxo-3-propylpyrimidin-1-yl)methyl]benzamide
SMILESCCCn1ccc(=O)n(Cc2ccc(C(N)=O)cc2)c1=O
InChIInChI=1S/C15H17N3O3/c1-2-8-17-9-7-13(19)18(15(17)21)10-11-3-5-12(6-4-11)14(16)20/h3-7,9H,2,8,10H2,1H3,(H2,16,20)
InChIKeyJLLFFHNOSDYOBL-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.57
Rot. Bonds5

About 4-[(2,6-dioxo-3-propylpyrimidin-1-yl)methyl]benzamide

4-[(2,6-dioxo-3-propylpyrimidin-1-yl)methyl]benzamide (PubChem CID 63811248) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-[(2,6-dioxo-3-propylpyrimidin-1-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(2,6-dioxo-3-propylpyrimidin-1-yl)methyl]benzamide
PubChem CID63811248
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name4-[(2,6-dioxo-3-propylpyrimidin-1-yl)methyl]benzamide
SMILESCCCn1ccc(=O)n(Cc2ccc(C(N)=O)cc2)c1=O
InChIInChI=1S/C15H17N3O3/c1-2-8-17-9-7-13(19)18(15(17)21)10-11-3-5-12(6-4-11)14(16)20/h3-7,9H,2,8,10H2,1H3,(H2,16,20)
InChIKeyJLLFFHNOSDYOBL-UHFFFAOYSA-N
XLogP0.57
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dioxo-3-propylpyrimidin-1-yl)methyl]benzamide?
The IUPAC name of 4-[(2,6-dioxo-3-propylpyrimidin-1-yl)methyl]benzamide (CID 63811248) is 4-[(2,6-dioxo-3-propylpyrimidin-1-yl)methyl]benzamide.
What is the SMILES notation for 4-[(2,6-dioxo-3-propylpyrimidin-1-yl)methyl]benzamide?
The canonical SMILES for 4-[(2,6-dioxo-3-propylpyrimidin-1-yl)methyl]benzamide is CCCn1ccc(=O)n(Cc2ccc(C(N)=O)cc2)c1=O.
What is the InChIKey of 4-[(2,6-dioxo-3-propylpyrimidin-1-yl)methyl]benzamide?
The InChIKey is JLLFFHNOSDYOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-8-17-9-7-13(19)18(15(17)21)10-11-3-5-12(6-4-11)14(16)20/h3-7,9H,2,8,10H2,1H3,(H2,16,20).
What are the key properties of 4-[(2,6-dioxo-3-propylpyrimidin-1-yl)methyl]benzamide?
4-[(2,6-dioxo-3-propylpyrimidin-1-yl)methyl]benzamide has a molecular weight of 287.32 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dioxo-3-propylpyrimidin-1-yl)methyl]benzamide is sourced from PubChem (CID 63811248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).