1,3-dibutylpyrimidine-2,4-dione

C12H20N2O2 — CID 71363686

IUPAC1,3-dibutylpyrimidine-2,4-dione
SMILESCCCCn1ccc(=O)n(CCCC)c1=O
InChIInChI=1S/C12H20N2O2/c1-3-5-8-13-10-7-11(15)14(12(13)16)9-6-4-2/h7,10H,3-6,8-9H2,1-2H3
InChIKeyQOCLLASCGRECMD-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.61
Rot. Bonds6

About 1,3-dibutylpyrimidine-2,4-dione

1,3-dibutylpyrimidine-2,4-dione (PubChem CID 71363686) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1,3-dibutylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dibutylpyrimidine-2,4-dione
PubChem CID71363686
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1,3-dibutylpyrimidine-2,4-dione
SMILESCCCCn1ccc(=O)n(CCCC)c1=O
InChIInChI=1S/C12H20N2O2/c1-3-5-8-13-10-7-11(15)14(12(13)16)9-6-4-2/h7,10H,3-6,8-9H2,1-2H3
InChIKeyQOCLLASCGRECMD-UHFFFAOYSA-N
XLogP1.61
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibutylpyrimidine-2,4-dione?
The IUPAC name of 1,3-dibutylpyrimidine-2,4-dione (CID 71363686) is 1,3-dibutylpyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dibutylpyrimidine-2,4-dione?
The canonical SMILES for 1,3-dibutylpyrimidine-2,4-dione is CCCCn1ccc(=O)n(CCCC)c1=O.
What is the InChIKey of 1,3-dibutylpyrimidine-2,4-dione?
The InChIKey is QOCLLASCGRECMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-5-8-13-10-7-11(15)14(12(13)16)9-6-4-2/h7,10H,3-6,8-9H2,1-2H3.
What are the key properties of 1,3-dibutylpyrimidine-2,4-dione?
1,3-dibutylpyrimidine-2,4-dione has a molecular weight of 224.30 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibutylpyrimidine-2,4-dione is sourced from PubChem (CID 71363686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).