5-butanoyl-1H-pyrimidine-2,4-dione

C8H10N2O3 — CID 59199891

IUPAC5-butanoyl-1H-pyrimidine-2,4-dione
SMILESCCCC(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H10N2O3/c1-2-3-6(11)5-4-9-8(13)10-7(5)12/h4H,2-3H2,1H3,(H2,9,10,12,13)
InChIKeyCNZVDQTYSWYAJR-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.05
Rot. Bonds3

About 5-butanoyl-1H-pyrimidine-2,4-dione

5-butanoyl-1H-pyrimidine-2,4-dione (PubChem CID 59199891) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 5-butanoyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-butanoyl-1H-pyrimidine-2,4-dione
PubChem CID59199891
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name5-butanoyl-1H-pyrimidine-2,4-dione
SMILESCCCC(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H10N2O3/c1-2-3-6(11)5-4-9-8(13)10-7(5)12/h4H,2-3H2,1H3,(H2,9,10,12,13)
InChIKeyCNZVDQTYSWYAJR-UHFFFAOYSA-N
XLogP0.05
TPSA82.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Acetyluracil
CID 234581
5-Acetyl-1-nonylpyrimidine-2,4-dione
CID 1815215
5-acetyl-1-(1-methylheptyl)-2,4(1H,3H)-pyrimidinedione
CID 4108328
5-Acetyl-1-octylpyrimidine-2,4-dione
CID 5090858
5-Propyluracil
CID 73269
2,4(1H,3H)-Pyrimidinedione, 5-butyl-
CID 94985
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-methyl-2,4(1H,3H)-pyrimidinedione
CID 1483607
Uracil, 5-hexyl-
CID 147281
5-sec-Butyluracil
CID 587021
5-hydroxy-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 33677178

Frequently Asked Questions

What is the IUPAC name of 5-butanoyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-butanoyl-1H-pyrimidine-2,4-dione (CID 59199891) is 5-butanoyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-butanoyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-butanoyl-1H-pyrimidine-2,4-dione is CCCC(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-butanoyl-1H-pyrimidine-2,4-dione?
The InChIKey is CNZVDQTYSWYAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-2-3-6(11)5-4-9-8(13)10-7(5)12/h4H,2-3H2,1H3,(H2,9,10,12,13).
What are the key properties of 5-butanoyl-1H-pyrimidine-2,4-dione?
5-butanoyl-1H-pyrimidine-2,4-dione has a molecular weight of 182.18 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butanoyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 59199891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).