3,5-dibutyl-6-methyl-1H-pyrimidine-2,4-dione

C13H22N2O2 — CID 3021920

IUPAC3,5-dibutyl-6-methyl-1H-pyrimidine-2,4-dione
SMILESCCCCc1c(C)[nH]c(=O)n(CCCC)c1=O
InChIInChI=1S/C13H22N2O2/c1-4-6-8-11-10(3)14-13(17)15(12(11)16)9-7-5-2/h4-9H2,1-3H3,(H,14,17)
InChIKeyLTWFGDJPJOTHQE-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.99
Rot. Bonds6

About 3,5-dibutyl-6-methyl-1H-pyrimidine-2,4-dione

3,5-dibutyl-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 3021920) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3,5-dibutyl-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3,5-dibutyl-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID3021920
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3,5-dibutyl-6-methyl-1H-pyrimidine-2,4-dione
SMILESCCCCc1c(C)[nH]c(=O)n(CCCC)c1=O
InChIInChI=1S/C13H22N2O2/c1-4-6-8-11-10(3)14-13(17)15(12(11)16)9-7-5-2/h4-9H2,1-3H3,(H,14,17)
InChIKeyLTWFGDJPJOTHQE-UHFFFAOYSA-N
XLogP1.99
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibutyl-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3,5-dibutyl-6-methyl-1H-pyrimidine-2,4-dione (CID 3021920) is 3,5-dibutyl-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3,5-dibutyl-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3,5-dibutyl-6-methyl-1H-pyrimidine-2,4-dione is CCCCc1c(C)[nH]c(=O)n(CCCC)c1=O.
What is the InChIKey of 3,5-dibutyl-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is LTWFGDJPJOTHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-6-8-11-10(3)14-13(17)15(12(11)16)9-7-5-2/h4-9H2,1-3H3,(H,14,17).
What are the key properties of 3,5-dibutyl-6-methyl-1H-pyrimidine-2,4-dione?
3,5-dibutyl-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 238.33 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibutyl-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3021920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).