3-cyclohexyl-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-pyrimidine-2,4-dione

C20H24F3N5O2 — CID 45480139

IUPAC3-cyclohexyl-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(N2CCN(c3cccc(C(F)(F)F)n3)CC2)[nH]c(=O)n1C1CCCCC1
InChIInChI=1S/C20H24F3N5O2/c21-20(22,23)15-7-4-8-16(24-15)26-9-11-27(12-10-26)17-13-18(29)28(19(30)25-17)14-5-2-1-3-6-14/h4,7-8,13-14H,1-3,5-6,9-12H2,(H,25,30)
InChIKeyXJNXIKNBSSIQDO-UHFFFAOYSA-N
MW423.44 g/mol
LogP2.78
Rot. Bonds3

About 3-cyclohexyl-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-pyrimidine-2,4-dione

3-cyclohexyl-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-pyrimidine-2,4-dione (PubChem CID 45480139) has the molecular formula C20H24F3N5O2 and a molecular weight of 423.44 g/mol. Its IUPAC name is 3-cyclohexyl-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-cyclohexyl-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-pyrimidine-2,4-dione
PubChem CID45480139
Molecular FormulaC20H24F3N5O2
Molecular Weight423.44 g/mol
Exact Mass423.19
IUPAC Name3-cyclohexyl-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(N2CCN(c3cccc(C(F)(F)F)n3)CC2)[nH]c(=O)n1C1CCCCC1
InChIInChI=1S/C20H24F3N5O2/c21-20(22,23)15-7-4-8-16(24-15)26-9-11-27(12-10-26)17-13-18(29)28(19(30)25-17)14-5-2-1-3-6-14/h4,7-8,13-14H,1-3,5-6,9-12H2,(H,25,30)
InChIKeyXJNXIKNBSSIQDO-UHFFFAOYSA-N
XLogP2.78
TPSA74.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-cyclohexyl-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-pyrimidine-2,4-dione (CID 45480139) is 3-cyclohexyl-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-cyclohexyl-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-cyclohexyl-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-pyrimidine-2,4-dione is O=c1cc(N2CCN(c3cccc(C(F)(F)F)n3)CC2)[nH]c(=O)n1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is XJNXIKNBSSIQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5O2/c21-20(22,23)15-7-4-8-16(24-15)26-9-11-27(12-10-26)17-13-18(29)28(19(30)25-17)14-5-2-1-3-6-14/h4,7-8,13-14H,1-3,5-6,9-12H2,(H,25,30).
What are the key properties of 3-cyclohexyl-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-pyrimidine-2,4-dione?
3-cyclohexyl-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 423.44 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 45480139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).