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

C20H25FN4O2 — CID 45382276

IUPAC3-cyclohexyl-6-[4-(3-fluorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(N2CCN(c3cccc(F)c3)CC2)[nH]c(=O)n1C1CCCCC1
InChIInChI=1S/C20H25FN4O2/c21-15-5-4-8-17(13-15)23-9-11-24(12-10-23)18-14-19(26)25(20(27)22-18)16-6-2-1-3-7-16/h4-5,8,13-14,16H,1-3,6-7,9-12H2,(H,22,27)
InChIKeyHOMIJRNJRUOZSV-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.51
Rot. Bonds3

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

3-cyclohexyl-6-[4-(3-fluorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione (PubChem CID 45382276) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 3-cyclohexyl-6-[4-(3-fluorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-cyclohexyl-6-[4-(3-fluorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione
PubChem CID45382276
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Name3-cyclohexyl-6-[4-(3-fluorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(N2CCN(c3cccc(F)c3)CC2)[nH]c(=O)n1C1CCCCC1
InChIInChI=1S/C20H25FN4O2/c21-15-5-4-8-17(13-15)23-9-11-24(12-10-23)18-14-19(26)25(20(27)22-18)16-6-2-1-3-7-16/h4-5,8,13-14,16H,1-3,6-7,9-12H2,(H,22,27)
InChIKeyHOMIJRNJRUOZSV-UHFFFAOYSA-N
XLogP2.51
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-6-[4-(3-fluorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-cyclohexyl-6-[4-(3-fluorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione (CID 45382276) is 3-cyclohexyl-6-[4-(3-fluorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-cyclohexyl-6-[4-(3-fluorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-cyclohexyl-6-[4-(3-fluorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione is O=c1cc(N2CCN(c3cccc(F)c3)CC2)[nH]c(=O)n1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-6-[4-(3-fluorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is HOMIJRNJRUOZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c21-15-5-4-8-17(13-15)23-9-11-24(12-10-23)18-14-19(26)25(20(27)22-18)16-6-2-1-3-7-16/h4-5,8,13-14,16H,1-3,6-7,9-12H2,(H,22,27).
What are the key properties of 3-cyclohexyl-6-[4-(3-fluorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione?
3-cyclohexyl-6-[4-(3-fluorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 372.44 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6-[4-(3-fluorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 45382276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).