3-cyclohexyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione

C11H13F3N2O2 — CID 1472066

IUPAC3-cyclohexyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(C(F)(F)F)[nH]c(=O)n1C1CCCCC1
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)8-6-9(17)16(10(18)15-8)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,15,18)
InChIKeyCJOXKQXGZFZFKA-UHFFFAOYSA-N
MW262.23 g/mol
LogP2.06
Rot. Bonds1

About 3-cyclohexyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione

3-cyclohexyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione (PubChem CID 1472066) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 3-cyclohexyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-cyclohexyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
PubChem CID1472066
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name3-cyclohexyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(C(F)(F)F)[nH]c(=O)n1C1CCCCC1
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)8-6-9(17)16(10(18)15-8)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,15,18)
InChIKeyCJOXKQXGZFZFKA-UHFFFAOYSA-N
XLogP2.06
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-cyclohexyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione (CID 1472066) is 3-cyclohexyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-cyclohexyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-cyclohexyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione is O=c1cc(C(F)(F)F)[nH]c(=O)n1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is CJOXKQXGZFZFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c12-11(13,14)8-6-9(17)16(10(18)15-8)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,15,18).
What are the key properties of 3-cyclohexyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
3-cyclohexyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 262.23 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 1472066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).