1,5-diethylpyrimidine-2,4-dione

C8H12N2O2 — CID 20617139

IUPAC1,5-diethylpyrimidine-2,4-dione
SMILESCCc1cn(CC)c(=O)[nH]c1=O
InChIInChI=1S/C8H12N2O2/c1-3-6-5-10(4-2)8(12)9-7(6)11/h5H,3-4H2,1-2H3,(H,9,11,12)
InChIKeyCDJNIKWPTUOGQX-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.12
Rot. Bonds2

About 1,5-diethylpyrimidine-2,4-dione

1,5-diethylpyrimidine-2,4-dione (PubChem CID 20617139) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1,5-diethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1,5-diethylpyrimidine-2,4-dione
PubChem CID20617139
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name1,5-diethylpyrimidine-2,4-dione
SMILESCCc1cn(CC)c(=O)[nH]c1=O
InChIInChI=1S/C8H12N2O2/c1-3-6-5-10(4-2)8(12)9-7(6)11/h5H,3-4H2,1-2H3,(H,9,11,12)
InChIKeyCDJNIKWPTUOGQX-UHFFFAOYSA-N
XLogP0.12
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5-diethylpyrimidine-2,4-dione?
The IUPAC name of 1,5-diethylpyrimidine-2,4-dione (CID 20617139) is 1,5-diethylpyrimidine-2,4-dione.
What is the SMILES notation for 1,5-diethylpyrimidine-2,4-dione?
The canonical SMILES for 1,5-diethylpyrimidine-2,4-dione is CCc1cn(CC)c(=O)[nH]c1=O.
What is the InChIKey of 1,5-diethylpyrimidine-2,4-dione?
The InChIKey is CDJNIKWPTUOGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-6-5-10(4-2)8(12)9-7(6)11/h5H,3-4H2,1-2H3,(H,9,11,12).
What are the key properties of 1,5-diethylpyrimidine-2,4-dione?
1,5-diethylpyrimidine-2,4-dione has a molecular weight of 168.20 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diethylpyrimidine-2,4-dione is sourced from PubChem (CID 20617139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).