3-[2-(4-fluorophenyl)ethyl]-6-hydroxy-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione

C19H24FN3O3 — CID 91517216

IUPAC3-[2-(4-fluorophenyl)ethyl]-6-hydroxy-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione
SMILESO=c1cc(O)n(CCN2CCCCC2)c(=O)n1CCc1ccc(F)cc1
InChIInChI=1S/C19H24FN3O3/c20-16-6-4-15(5-7-16)8-11-22-17(24)14-18(25)23(19(22)26)13-12-21-9-2-1-3-10-21/h4-7,14,25H,1-3,8-13H2
InChIKeyOWHGWPMRRACVPR-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.58
Rot. Bonds6

About 3-[2-(4-fluorophenyl)ethyl]-6-hydroxy-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione

3-[2-(4-fluorophenyl)ethyl]-6-hydroxy-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione (PubChem CID 91517216) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)ethyl]-6-hydroxy-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)ethyl]-6-hydroxy-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione
PubChem CID91517216
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC Name3-[2-(4-fluorophenyl)ethyl]-6-hydroxy-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione
SMILESO=c1cc(O)n(CCN2CCCCC2)c(=O)n1CCc1ccc(F)cc1
InChIInChI=1S/C19H24FN3O3/c20-16-6-4-15(5-7-16)8-11-22-17(24)14-18(25)23(19(22)26)13-12-21-9-2-1-3-10-21/h4-7,14,25H,1-3,8-13H2
InChIKeyOWHGWPMRRACVPR-UHFFFAOYSA-N
XLogP1.58
TPSA67.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(4-fluorophenyl)ethyl]-6-hydroxy-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-2,4-dione
CID 123654843
1-[2-(4-tert-butylphenyl)ethyl]-6-hydroxy-3-(2-phenylethyl)pyrimidine-2,4-dione
CID 91209277
1-[2-(3,5-difluorophenyl)-2-oxoethyl]-3-(2-pyrrolidin-1-ylethyl)benzimidazol-2-one
CID 72549386
4-[2-(4-fluorophenyl)ethyl]morpholine
CID 100965302
5-fluoro-3-(2-pyrrolidin-1-ylethyl)-1H-benzimidazol-2-one
CID 117208472
1-[2-(4-fluorophenyl)ethyl]-6-hydroxy-5-[(E)-piperidin-1-yliminomethyl]pyrimidine-2,4-dione
CID 135429763
2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 644372
bis[4-(2-pyrrolidin-1-ylethyl)phenyl]methanone
CID 57106697
3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-one
CID 19437793
1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-piperidin-1-ylacetamide
CID 25449003
N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)-2H-pyrrole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)ethyl]-6-hydroxy-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-[2-(4-fluorophenyl)ethyl]-6-hydroxy-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione (CID 91517216) is 3-[2-(4-fluorophenyl)ethyl]-6-hydroxy-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-[2-(4-fluorophenyl)ethyl]-6-hydroxy-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-[2-(4-fluorophenyl)ethyl]-6-hydroxy-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione is O=c1cc(O)n(CCN2CCCCC2)c(=O)n1CCc1ccc(F)cc1.
What is the InChIKey of 3-[2-(4-fluorophenyl)ethyl]-6-hydroxy-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione?
The InChIKey is OWHGWPMRRACVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3/c20-16-6-4-15(5-7-16)8-11-22-17(24)14-18(25)23(19(22)26)13-12-21-9-2-1-3-10-21/h4-7,14,25H,1-3,8-13H2.
What are the key properties of 3-[2-(4-fluorophenyl)ethyl]-6-hydroxy-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione?
3-[2-(4-fluorophenyl)ethyl]-6-hydroxy-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione has a molecular weight of 361.42 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)ethyl]-6-hydroxy-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 91517216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).