3-cyclopentyl-6-hydroxy-1-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-2,4-dione

C18H19F3N2O3 — CID 123924584

IUPAC3-cyclopentyl-6-hydroxy-1-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-2,4-dione
SMILESO=c1cc(O)n(CCc2cccc(C(F)(F)F)c2)c(=O)n1C1CCCC1
InChIInChI=1S/C18H19F3N2O3/c19-18(20,21)13-5-3-4-12(10-13)8-9-22-15(24)11-16(25)23(17(22)26)14-6-1-2-7-14/h3-5,10-11,14,24H,1-2,6-9H2
InChIKeyPYDZOJZJRFJGQB-UHFFFAOYSA-N
MW368.36 g/mol
LogP3.09
Rot. Bonds4

About 3-cyclopentyl-6-hydroxy-1-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-2,4-dione

3-cyclopentyl-6-hydroxy-1-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-2,4-dione (PubChem CID 123924584) has the molecular formula C18H19F3N2O3 and a molecular weight of 368.36 g/mol. Its IUPAC name is 3-cyclopentyl-6-hydroxy-1-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-cyclopentyl-6-hydroxy-1-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-2,4-dione
PubChem CID123924584
Molecular FormulaC18H19F3N2O3
Molecular Weight368.36 g/mol
Exact Mass368.13
IUPAC Name3-cyclopentyl-6-hydroxy-1-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-2,4-dione
SMILESO=c1cc(O)n(CCc2cccc(C(F)(F)F)c2)c(=O)n1C1CCCC1
InChIInChI=1S/C18H19F3N2O3/c19-18(20,21)13-5-3-4-12(10-13)8-9-22-15(24)11-16(25)23(17(22)26)14-6-1-2-7-14/h3-5,10-11,14,24H,1-2,6-9H2
InChIKeyPYDZOJZJRFJGQB-UHFFFAOYSA-N
XLogP3.09
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-6-hydroxy-1-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-2,4-dione?
The IUPAC name of 3-cyclopentyl-6-hydroxy-1-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-2,4-dione (CID 123924584) is 3-cyclopentyl-6-hydroxy-1-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 3-cyclopentyl-6-hydroxy-1-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 3-cyclopentyl-6-hydroxy-1-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-2,4-dione is O=c1cc(O)n(CCc2cccc(C(F)(F)F)c2)c(=O)n1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-6-hydroxy-1-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-2,4-dione?
The InChIKey is PYDZOJZJRFJGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3/c19-18(20,21)13-5-3-4-12(10-13)8-9-22-15(24)11-16(25)23(17(22)26)14-6-1-2-7-14/h3-5,10-11,14,24H,1-2,6-9H2.
What are the key properties of 3-cyclopentyl-6-hydroxy-1-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-2,4-dione?
3-cyclopentyl-6-hydroxy-1-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-2,4-dione has a molecular weight of 368.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-6-hydroxy-1-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 123924584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).