1,3-dibutyl-5-fluoropyrimidine-2,4-dione

C12H19FN2O2 — CID 546412

IUPAC1,3-dibutyl-5-fluoropyrimidine-2,4-dione
SMILESCCCCn1cc(F)c(=O)n(CCCC)c1=O
InChIInChI=1S/C12H19FN2O2/c1-3-5-7-14-9-10(13)11(16)15(12(14)17)8-6-4-2/h9H,3-8H2,1-2H3
InChIKeyDLKBRGZNFRZYNB-UHFFFAOYSA-N
MW242.29 g/mol
LogP1.75
Rot. Bonds6

About 1,3-dibutyl-5-fluoropyrimidine-2,4-dione

1,3-dibutyl-5-fluoropyrimidine-2,4-dione (PubChem CID 546412) has the molecular formula C12H19FN2O2 and a molecular weight of 242.29 g/mol. Its IUPAC name is 1,3-dibutyl-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dibutyl-5-fluoropyrimidine-2,4-dione
PubChem CID546412
Molecular FormulaC12H19FN2O2
Molecular Weight242.29 g/mol
Exact Mass242.14
IUPAC Name1,3-dibutyl-5-fluoropyrimidine-2,4-dione
SMILESCCCCn1cc(F)c(=O)n(CCCC)c1=O
InChIInChI=1S/C12H19FN2O2/c1-3-5-7-14-9-10(13)11(16)15(12(14)17)8-6-4-2/h9H,3-8H2,1-2H3
InChIKeyDLKBRGZNFRZYNB-UHFFFAOYSA-N
XLogP1.75
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibutyl-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1,3-dibutyl-5-fluoropyrimidine-2,4-dione (CID 546412) is 1,3-dibutyl-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dibutyl-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1,3-dibutyl-5-fluoropyrimidine-2,4-dione is CCCCn1cc(F)c(=O)n(CCCC)c1=O.
What is the InChIKey of 1,3-dibutyl-5-fluoropyrimidine-2,4-dione?
The InChIKey is DLKBRGZNFRZYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2/c1-3-5-7-14-9-10(13)11(16)15(12(14)17)8-6-4-2/h9H,3-8H2,1-2H3.
What are the key properties of 1,3-dibutyl-5-fluoropyrimidine-2,4-dione?
1,3-dibutyl-5-fluoropyrimidine-2,4-dione has a molecular weight of 242.29 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibutyl-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 546412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).