2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-prop-2-ynylacetamide

C12H15N3O3 — CID 63812383

IUPAC2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)Cn1c(=O)ccn(CCC)c1=O
InChIInChI=1S/C12H15N3O3/c1-3-6-13-10(16)9-15-11(17)5-8-14(7-4-2)12(15)18/h1,5,8H,4,6-7,9H2,2H3,(H,13,16)
InChIKeyUUMFJTAFXXSWDY-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.83
Rot. Bonds5

About 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-prop-2-ynylacetamide

2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-prop-2-ynylacetamide (PubChem CID 63812383) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-prop-2-ynylacetamide
PubChem CID63812383
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)Cn1c(=O)ccn(CCC)c1=O
InChIInChI=1S/C12H15N3O3/c1-3-6-13-10(16)9-15-11(17)5-8-14(7-4-2)12(15)18/h1,5,8H,4,6-7,9H2,2H3,(H,13,16)
InChIKeyUUMFJTAFXXSWDY-UHFFFAOYSA-N
XLogP-0.83
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-(oxan-4-yl)acetamide
CID 63810941
2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide
CID 60735082
N-(cyanomethyl)-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 63810281
3-(2-oxo-3-phenylpropyl)-1-propylpyrimidine-2,4-dione
CID 63800154
3-[2-(furan-2-yl)-2-oxoethyl]-1-propylpyrimidine-2,4-dione
CID 63799114
5-(2,6-dioxo-3-propylpyrimidin-1-yl)pentanenitrile
CID 63800672
N-prop-2-ynyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 9379902
N-butyl-2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
CID 50755239
4-(2,6-dioxo-3-propylpyrimidin-1-yl)butanethioamide
CID 63800853
N-ethyl-3-(3-ethyl-2,6-dioxopyrimidin-1-yl)propanamide
CID 63811070
3-[4-(propan-2-ylamino)butyl]-1-propylpyrimidine-2,4-dione
CID 63812517
2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propylacetamide
CID 50755172

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-prop-2-ynylacetamide?
The IUPAC name of 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-prop-2-ynylacetamide (CID 63812383) is 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-prop-2-ynylacetamide?
The canonical SMILES for 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-prop-2-ynylacetamide is C#CCNC(=O)Cn1c(=O)ccn(CCC)c1=O.
What is the InChIKey of 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-prop-2-ynylacetamide?
The InChIKey is UUMFJTAFXXSWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-3-6-13-10(16)9-15-11(17)5-8-14(7-4-2)12(15)18/h1,5,8H,4,6-7,9H2,2H3,(H,13,16).
What are the key properties of 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-prop-2-ynylacetamide?
2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-prop-2-ynylacetamide has a molecular weight of 249.27 g/mol, XLogP of -0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-prop-2-ynylacetamide is sourced from PubChem (CID 63812383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).