5-acetyl-3-[2-[ethyl(methyl)amino]ethyl]-1H-pyrimidine-2,4-dione

C11H17N3O3 — CID 80643497

IUPAC5-acetyl-3-[2-[ethyl(methyl)amino]ethyl]-1H-pyrimidine-2,4-dione
SMILESCCN(C)CCn1c(=O)[nH]cc(C(C)=O)c1=O
InChIInChI=1S/C11H17N3O3/c1-4-13(3)5-6-14-10(16)9(8(2)15)7-12-11(14)17/h7H,4-6H2,1-3H3,(H,12,17)
InChIKeyRSNZEJIXBDWWJF-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.31
Rot. Bonds5

About 5-acetyl-3-[2-[ethyl(methyl)amino]ethyl]-1H-pyrimidine-2,4-dione

5-acetyl-3-[2-[ethyl(methyl)amino]ethyl]-1H-pyrimidine-2,4-dione (PubChem CID 80643497) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-acetyl-3-[2-[ethyl(methyl)amino]ethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-[2-[ethyl(methyl)amino]ethyl]-1H-pyrimidine-2,4-dione
PubChem CID80643497
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name5-acetyl-3-[2-[ethyl(methyl)amino]ethyl]-1H-pyrimidine-2,4-dione
SMILESCCN(C)CCn1c(=O)[nH]cc(C(C)=O)c1=O
InChIInChI=1S/C11H17N3O3/c1-4-13(3)5-6-14-10(16)9(8(2)15)7-12-11(14)17/h7H,4-6H2,1-3H3,(H,12,17)
InChIKeyRSNZEJIXBDWWJF-UHFFFAOYSA-N
XLogP-0.31
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-acetyl-3-[2-[ethyl(methyl)amino]ethyl]-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

Trimethylammonium 5-acetyl-3-allyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
CID 16682001
5-Acetyluracil
CID 234581
5-acetyl-1-allyl-2,4(1H,3H)-pyrimidinedione
CID 1484302
5-Acetyl-1-nonylpyrimidine-2,4-dione
CID 1815215
5-Acetyl-1-octylpyrimidine-2,4-dione
CID 5090858
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-decylpyrimidine-2,4(1H,3H)-dione
CID 1815357
5-acetyl-1-isopentylpyrimidine-2,4(1H,3H)-dione
CID 901795
N-butyl-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 25185739
[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

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-[2-[ethyl(methyl)amino]ethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-[2-[ethyl(methyl)amino]ethyl]-1H-pyrimidine-2,4-dione (CID 80643497) is 5-acetyl-3-[2-[ethyl(methyl)amino]ethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-[2-[ethyl(methyl)amino]ethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-[2-[ethyl(methyl)amino]ethyl]-1H-pyrimidine-2,4-dione is CCN(C)CCn1c(=O)[nH]cc(C(C)=O)c1=O.
What is the InChIKey of 5-acetyl-3-[2-[ethyl(methyl)amino]ethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is RSNZEJIXBDWWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-4-13(3)5-6-14-10(16)9(8(2)15)7-12-11(14)17/h7H,4-6H2,1-3H3,(H,12,17).
What are the key properties of 5-acetyl-3-[2-[ethyl(methyl)amino]ethyl]-1H-pyrimidine-2,4-dione?
5-acetyl-3-[2-[ethyl(methyl)amino]ethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 239.27 g/mol, XLogP of -0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-[2-[ethyl(methyl)amino]ethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 80643497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).