2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-propylacetamide

C9H13N3O3 — CID 2149960

IUPAC2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-propylacetamide
SMILESCCCNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C9H13N3O3/c1-2-3-10-7(13)4-6-5-8(14)12-9(15)11-6/h5H,2-4H2,1H3,(H,10,13)(H2,11,12,14,15)
InChIKeyJLAHOBFIZBGMSU-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.87
Rot. Bonds4

About 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-propylacetamide

2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-propylacetamide (PubChem CID 2149960) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-propylacetamide
PubChem CID2149960
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-propylacetamide
SMILESCCCNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C9H13N3O3/c1-2-3-10-7(13)4-6-5-8(14)12-9(15)11-6/h5H,2-4H2,1H3,(H,10,13)(H2,11,12,14,15)
InChIKeyJLAHOBFIZBGMSU-UHFFFAOYSA-N
XLogP-0.87
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-propylacetamide?
The IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-propylacetamide (CID 2149960) is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-propylacetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-propylacetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-propylacetamide is CCCNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-propylacetamide?
The InChIKey is JLAHOBFIZBGMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-2-3-10-7(13)4-6-5-8(14)12-9(15)11-6/h5H,2-4H2,1H3,(H,10,13)(H2,11,12,14,15).
What are the key properties of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-propylacetamide?
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-propylacetamide has a molecular weight of 211.22 g/mol, XLogP of -0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-propylacetamide is sourced from PubChem (CID 2149960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).