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

C7H8N2O3 — CID 66545525

IUPAC5-propanoyl-1H-pyrimidine-2,4-dione
SMILESCCC(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O3/c1-2-5(10)4-3-8-7(12)9-6(4)11/h3H,2H2,1H3,(H2,8,9,11,12)
InChIKeyPKFFPKQOJWTEAJ-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.34
Rot. Bonds2

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

5-propanoyl-1H-pyrimidine-2,4-dione (PubChem CID 66545525) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 5-propanoyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-propanoyl-1H-pyrimidine-2,4-dione
PubChem CID66545525
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name5-propanoyl-1H-pyrimidine-2,4-dione
SMILESCCC(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O3/c1-2-5(10)4-3-8-7(12)9-6(4)11/h3H,2H2,1H3,(H2,8,9,11,12)
InChIKeyPKFFPKQOJWTEAJ-UHFFFAOYSA-N
XLogP-0.34
TPSA82.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Ethyl-2,4(1H,3H)-pyrimidinedione
CID 73267
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-Propyluracil
CID 73269
2,4(1H,3H)-Pyrimidinedione, 5-butyl-
CID 94985
5-Cyclopropyluracil
CID 6991953
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
[2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoethyl]-trimethylazanium bromide
CID 90677959

Frequently Asked Questions

What is the IUPAC name of 5-propanoyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-propanoyl-1H-pyrimidine-2,4-dione (CID 66545525) is 5-propanoyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-propanoyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-propanoyl-1H-pyrimidine-2,4-dione is CCC(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-propanoyl-1H-pyrimidine-2,4-dione?
The InChIKey is PKFFPKQOJWTEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-2-5(10)4-3-8-7(12)9-6(4)11/h3H,2H2,1H3,(H2,8,9,11,12).
What are the key properties of 5-propanoyl-1H-pyrimidine-2,4-dione?
5-propanoyl-1H-pyrimidine-2,4-dione has a molecular weight of 168.15 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propanoyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 66545525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).