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

C12H19N3O3 — CID 80643120

IUPAC5-acetyl-3-[2-(diethylamino)ethyl]-1H-pyrimidine-2,4-dione
SMILESCCN(CC)CCn1c(=O)[nH]cc(C(C)=O)c1=O
InChIInChI=1S/C12H19N3O3/c1-4-14(5-2)6-7-15-11(17)10(9(3)16)8-13-12(15)18/h8H,4-7H2,1-3H3,(H,13,18)
InChIKeyIMGBKFBUULZGBC-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.08
Rot. Bonds6

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

5-acetyl-3-[2-(diethylamino)ethyl]-1H-pyrimidine-2,4-dione (PubChem CID 80643120) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-acetyl-3-[2-(diethylamino)ethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-[2-(diethylamino)ethyl]-1H-pyrimidine-2,4-dione
PubChem CID80643120
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name5-acetyl-3-[2-(diethylamino)ethyl]-1H-pyrimidine-2,4-dione
SMILESCCN(CC)CCn1c(=O)[nH]cc(C(C)=O)c1=O
InChIInChI=1S/C12H19N3O3/c1-4-14(5-2)6-7-15-11(17)10(9(3)16)8-13-12(15)18/h8H,4-7H2,1-3H3,(H,13,18)
InChIKeyIMGBKFBUULZGBC-UHFFFAOYSA-N
XLogP0.08
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(diethylamino)ethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-[2-(diethylamino)ethyl]-1H-pyrimidine-2,4-dione (CID 80643120) is 5-acetyl-3-[2-(diethylamino)ethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-[2-(diethylamino)ethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-[2-(diethylamino)ethyl]-1H-pyrimidine-2,4-dione is CCN(CC)CCn1c(=O)[nH]cc(C(C)=O)c1=O.
What is the InChIKey of 5-acetyl-3-[2-(diethylamino)ethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is IMGBKFBUULZGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-4-14(5-2)6-7-15-11(17)10(9(3)16)8-13-12(15)18/h8H,4-7H2,1-3H3,(H,13,18).
What are the key properties of 5-acetyl-3-[2-(diethylamino)ethyl]-1H-pyrimidine-2,4-dione?
5-acetyl-3-[2-(diethylamino)ethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 253.30 g/mol, XLogP of 0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-[2-(diethylamino)ethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 80643120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).