1,3-dibutyl-5-(trifluoromethyl)pyrimidine-2,4-dione

C13H19F3N2O2 — CID 86294583

IUPAC1,3-dibutyl-5-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCCCCn1cc(C(F)(F)F)c(=O)n(CCCC)c1=O
InChIInChI=1S/C13H19F3N2O2/c1-3-5-7-17-9-10(13(14,15)16)11(19)18(12(17)20)8-6-4-2/h9H,3-8H2,1-2H3
InChIKeyIKMOOKFSXVPWAQ-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.63
Rot. Bonds6

About 1,3-dibutyl-5-(trifluoromethyl)pyrimidine-2,4-dione

1,3-dibutyl-5-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 86294583) has the molecular formula C13H19F3N2O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 1,3-dibutyl-5-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dibutyl-5-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID86294583
Molecular FormulaC13H19F3N2O2
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC Name1,3-dibutyl-5-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCCCCn1cc(C(F)(F)F)c(=O)n(CCCC)c1=O
InChIInChI=1S/C13H19F3N2O2/c1-3-5-7-17-9-10(13(14,15)16)11(19)18(12(17)20)8-6-4-2/h9H,3-8H2,1-2H3
InChIKeyIKMOOKFSXVPWAQ-UHFFFAOYSA-N
XLogP2.63
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.63
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-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 1,3-dibutyl-5-(trifluoromethyl)pyrimidine-2,4-dione (CID 86294583) is 1,3-dibutyl-5-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dibutyl-5-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dibutyl-5-(trifluoromethyl)pyrimidine-2,4-dione is CCCCn1cc(C(F)(F)F)c(=O)n(CCCC)c1=O.
What is the InChIKey of 1,3-dibutyl-5-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is IKMOOKFSXVPWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2/c1-3-5-7-17-9-10(13(14,15)16)11(19)18(12(17)20)8-6-4-2/h9H,3-8H2,1-2H3.
What are the key properties of 1,3-dibutyl-5-(trifluoromethyl)pyrimidine-2,4-dione?
1,3-dibutyl-5-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 292.30 g/mol, XLogP of 2.63, 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-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 86294583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).