5-acetyl-3-[1-(diethylamino)propan-2-yl]-1H-pyrimidine-2,4-dione

C13H21N3O3 — CID 80642982

IUPAC5-acetyl-3-[1-(diethylamino)propan-2-yl]-1H-pyrimidine-2,4-dione
SMILESCCN(CC)CC(C)n1c(=O)[nH]cc(C(C)=O)c1=O
InChIInChI=1S/C13H21N3O3/c1-5-15(6-2)8-9(3)16-12(18)11(10(4)17)7-14-13(16)19/h7,9H,5-6,8H2,1-4H3,(H,14,19)
InChIKeyOOGBEPFWXMZBKU-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.64
Rot. Bonds6

About 5-acetyl-3-[1-(diethylamino)propan-2-yl]-1H-pyrimidine-2,4-dione

5-acetyl-3-[1-(diethylamino)propan-2-yl]-1H-pyrimidine-2,4-dione (PubChem CID 80642982) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-acetyl-3-[1-(diethylamino)propan-2-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-[1-(diethylamino)propan-2-yl]-1H-pyrimidine-2,4-dione
PubChem CID80642982
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name5-acetyl-3-[1-(diethylamino)propan-2-yl]-1H-pyrimidine-2,4-dione
SMILESCCN(CC)CC(C)n1c(=O)[nH]cc(C(C)=O)c1=O
InChIInChI=1S/C13H21N3O3/c1-5-15(6-2)8-9(3)16-12(18)11(10(4)17)7-14-13(16)19/h7,9H,5-6,8H2,1-4H3,(H,14,19)
InChIKeyOOGBEPFWXMZBKU-UHFFFAOYSA-N
XLogP0.64
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-acetyl-3-[1-(diethylamino)propan-2-yl]-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Acetyluracil
CID 234581
5-acetyl-1-allyl-2,4(1H,3H)-pyrimidinedione
CID 1484302
5-acetyl-1-(1-methylheptyl)-2,4(1H,3H)-pyrimidinedione
CID 4108328
5-acetyl-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione
CID 899353
5-Acetyl-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 71755660
5-acetyl-1-isopentylpyrimidine-2,4(1H,3H)-dione
CID 901795
[2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoethyl]-trimethylazanium bromide
CID 90677959
5-acetyl-1-methyl-2,4(1H,3H)-pyrimidinedione
CID 1483607
5-Acetyl-3-ethylpyrimidine-2,4(1h,3h)-dione
CID 80643763
2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 80500896
5-acetyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione
CID 80643550
5-acetyl-3-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-dione
CID 80643708

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-[1-(diethylamino)propan-2-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-[1-(diethylamino)propan-2-yl]-1H-pyrimidine-2,4-dione (CID 80642982) is 5-acetyl-3-[1-(diethylamino)propan-2-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-[1-(diethylamino)propan-2-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-[1-(diethylamino)propan-2-yl]-1H-pyrimidine-2,4-dione is CCN(CC)CC(C)n1c(=O)[nH]cc(C(C)=O)c1=O.
What is the InChIKey of 5-acetyl-3-[1-(diethylamino)propan-2-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is OOGBEPFWXMZBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-5-15(6-2)8-9(3)16-12(18)11(10(4)17)7-14-13(16)19/h7,9H,5-6,8H2,1-4H3,(H,14,19).
What are the key properties of 5-acetyl-3-[1-(diethylamino)propan-2-yl]-1H-pyrimidine-2,4-dione?
5-acetyl-3-[1-(diethylamino)propan-2-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 267.33 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-[1-(diethylamino)propan-2-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 80642982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).