3-(2-oxo-3-phenylpropyl)-1-propylpyrimidine-2,4-dione

C16H18N2O3 — CID 63800154

IUPAC3-(2-oxo-3-phenylpropyl)-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(CC(=O)Cc2ccccc2)c1=O
InChIInChI=1S/C16H18N2O3/c1-2-9-17-10-8-15(20)18(16(17)21)12-14(19)11-13-6-4-3-5-7-13/h3-8,10H,2,9,11-12H2,1H3
InChIKeyUBTLMEKVHAIGQU-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.23
Rot. Bonds6

About 3-(2-oxo-3-phenylpropyl)-1-propylpyrimidine-2,4-dione

3-(2-oxo-3-phenylpropyl)-1-propylpyrimidine-2,4-dione (PubChem CID 63800154) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-(2-oxo-3-phenylpropyl)-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2-oxo-3-phenylpropyl)-1-propylpyrimidine-2,4-dione
PubChem CID63800154
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-(2-oxo-3-phenylpropyl)-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(CC(=O)Cc2ccccc2)c1=O
InChIInChI=1S/C16H18N2O3/c1-2-9-17-10-8-15(20)18(16(17)21)12-14(19)11-13-6-4-3-5-7-13/h3-8,10H,2,9,11-12H2,1H3
InChIKeyUBTLMEKVHAIGQU-UHFFFAOYSA-N
XLogP1.23
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(furan-2-yl)-2-oxoethyl]-1-propylpyrimidine-2,4-dione
CID 63799114
3-(phenylmethoxymethyl)-1-propylpyrimidine-2,4-dione
CID 102940695
2-[(2,6-dioxo-3-propylpyrimidin-1-yl)methyl]benzamide
CID 63812547
2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-prop-2-ynylacetamide
CID 63812383
1-(2-oxo-3-phenylpropyl)-4-propylpiperazine-2,5-dione
CID 79936892
4-[(2,6-dioxo-3-propylpyrimidin-1-yl)methyl]benzamide
CID 63811248
3-[(3-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione
CID 63812060
3-[(4-chlorophenyl)methyl]-1-propylpyrimidine-2,4-dione
CID 55239205
5-(2,6-dioxo-3-propylpyrimidin-1-yl)pentanenitrile
CID 63800672
3-[3-(2-fluorophenyl)-2-oxopropyl]-1-methylpyrimidine-2,4-dione
CID 63801201
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-ethylphenyl)acetamide
CID 17498072
2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-(oxan-4-yl)acetamide
CID 63810941

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-3-phenylpropyl)-1-propylpyrimidine-2,4-dione?
The IUPAC name of 3-(2-oxo-3-phenylpropyl)-1-propylpyrimidine-2,4-dione (CID 63800154) is 3-(2-oxo-3-phenylpropyl)-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 3-(2-oxo-3-phenylpropyl)-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 3-(2-oxo-3-phenylpropyl)-1-propylpyrimidine-2,4-dione is CCCn1ccc(=O)n(CC(=O)Cc2ccccc2)c1=O.
What is the InChIKey of 3-(2-oxo-3-phenylpropyl)-1-propylpyrimidine-2,4-dione?
The InChIKey is UBTLMEKVHAIGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-2-9-17-10-8-15(20)18(16(17)21)12-14(19)11-13-6-4-3-5-7-13/h3-8,10H,2,9,11-12H2,1H3.
What are the key properties of 3-(2-oxo-3-phenylpropyl)-1-propylpyrimidine-2,4-dione?
3-(2-oxo-3-phenylpropyl)-1-propylpyrimidine-2,4-dione has a molecular weight of 286.33 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-3-phenylpropyl)-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 63800154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).