2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-propylacetamide

C11H15N3O4 — CID 80642907

IUPAC2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1c(=O)[nH]cc(C(C)=O)c1=O
InChIInChI=1S/C11H15N3O4/c1-3-4-12-9(16)6-14-10(17)8(7(2)15)5-13-11(14)18/h5H,3-4,6H2,1-2H3,(H,12,16)(H,13,18)
InChIKeyAYSXEVQZFVVHKG-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.73
Rot. Bonds5

About 2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-propylacetamide

2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-propylacetamide (PubChem CID 80642907) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-propylacetamide
PubChem CID80642907
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1c(=O)[nH]cc(C(C)=O)c1=O
InChIInChI=1S/C11H15N3O4/c1-3-4-12-9(16)6-14-10(17)8(7(2)15)5-13-11(14)18/h5H,3-4,6H2,1-2H3,(H,12,16)(H,13,18)
InChIKeyAYSXEVQZFVVHKG-UHFFFAOYSA-N
XLogP-0.73
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 234581
CID 234581
CID 71755660
CID 71755660
CID 90677959
CID 90677959
CID 1483607
CID 1483607
CID 80643763
CID 80643763
CID 66330529
CID 66330529
CID 80500896
CID 80500896
CID 80643708
CID 80643708
CID 90677960
CID 90677960
CID 115409398
CID 115409398
CID 115523016
CID 115523016
CID 4848840
CID 4848840

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-propylacetamide?
The IUPAC name of 2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-propylacetamide (CID 80642907) is 2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-propylacetamide.
What is the SMILES notation for 2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-propylacetamide?
The canonical SMILES for 2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-propylacetamide is CCCNC(=O)Cn1c(=O)[nH]cc(C(C)=O)c1=O.
What is the InChIKey of 2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-propylacetamide?
The InChIKey is AYSXEVQZFVVHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-3-4-12-9(16)6-14-10(17)8(7(2)15)5-13-11(14)18/h5H,3-4,6H2,1-2H3,(H,12,16)(H,13,18).
What are the key properties of 2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-propylacetamide?
2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-propylacetamide has a molecular weight of 253.26 g/mol, XLogP of -0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-propylacetamide is sourced from PubChem (CID 80642907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).