5-acetyl-3-(dimethylamino)-1H-pyrimidine-2,4-dione

C8H11N3O3 — CID 83024743

IUPAC5-acetyl-3-(dimethylamino)-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(N(C)C)c1=O
InChIInChI=1S/C8H11N3O3/c1-5(12)6-4-9-8(14)11(7(6)13)10(2)3/h4H,1-3H3,(H,9,14)
InChIKeyRKNUWNWLTXUIGD-UHFFFAOYSA-N
MW197.19 g/mol
LogP-1.06
Rot. Bonds2

About 5-acetyl-3-(dimethylamino)-1H-pyrimidine-2,4-dione

5-acetyl-3-(dimethylamino)-1H-pyrimidine-2,4-dione (PubChem CID 83024743) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 5-acetyl-3-(dimethylamino)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-(dimethylamino)-1H-pyrimidine-2,4-dione
PubChem CID83024743
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name5-acetyl-3-(dimethylamino)-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(N(C)C)c1=O
InChIInChI=1S/C8H11N3O3/c1-5(12)6-4-9-8(14)11(7(6)13)10(2)3/h4H,1-3H3,(H,9,14)
InChIKeyRKNUWNWLTXUIGD-UHFFFAOYSA-N
XLogP-1.06
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Acetyluracil
CID 234581
5-acetyl-1-allyl-2,4(1H,3H)-pyrimidinedione
CID 1484302
5-acetyl-1-piperidino-2,4(1H,3H)-pyrimidinedione
CID 3778177
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-(2-fluoroacetyl)-1H-pyrimidine-2,4-dione
CID 141083917
5-Acetyl-3-ethylpyrimidine-2,4(1h,3h)-dione
CID 80643763
[2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoethyl]-trimethylazanium
CID 90677960
5-[2-(dimethylamino)acetyl]-1H-pyrimidine-2,4-dione;hydrochloride
CID 24196696
5-(2-aminoacetyl)-1H-pyrimidine-2,4-dione;hydrobromide
CID 24196697

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-(dimethylamino)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-(dimethylamino)-1H-pyrimidine-2,4-dione (CID 83024743) is 5-acetyl-3-(dimethylamino)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-(dimethylamino)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-(dimethylamino)-1H-pyrimidine-2,4-dione is CC(=O)c1c[nH]c(=O)n(N(C)C)c1=O.
What is the InChIKey of 5-acetyl-3-(dimethylamino)-1H-pyrimidine-2,4-dione?
The InChIKey is RKNUWNWLTXUIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-5(12)6-4-9-8(14)11(7(6)13)10(2)3/h4H,1-3H3,(H,9,14).
What are the key properties of 5-acetyl-3-(dimethylamino)-1H-pyrimidine-2,4-dione?
5-acetyl-3-(dimethylamino)-1H-pyrimidine-2,4-dione has a molecular weight of 197.19 g/mol, XLogP of -1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-(dimethylamino)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 83024743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).