3-[2-(4-fluorophenyl)ethyl]-6-hydroxy-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-2,4-dione

C19H22FN3O4 — CID 123654843

IUPAC3-[2-(4-fluorophenyl)ethyl]-6-hydroxy-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-2,4-dione
SMILESO=C1CCCN1CCCn1c(O)cc(=O)n(CCc2ccc(F)cc2)c1=O
InChIInChI=1S/C19H22FN3O4/c20-15-6-4-14(5-7-15)8-12-23-18(26)13-17(25)22(19(23)27)11-2-10-21-9-1-3-16(21)24/h4-7,13,25H,1-3,8-12H2
InChIKeyHZJKBVFPMNSQJU-UHFFFAOYSA-N
MW375.40 g/mol
LogP1.11
Rot. Bonds7

About 3-[2-(4-fluorophenyl)ethyl]-6-hydroxy-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-2,4-dione

3-[2-(4-fluorophenyl)ethyl]-6-hydroxy-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-2,4-dione (PubChem CID 123654843) has the molecular formula C19H22FN3O4 and a molecular weight of 375.40 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)ethyl]-6-hydroxy-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)ethyl]-6-hydroxy-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-2,4-dione
PubChem CID123654843
Molecular FormulaC19H22FN3O4
Molecular Weight375.40 g/mol
Exact Mass375.16
IUPAC Name3-[2-(4-fluorophenyl)ethyl]-6-hydroxy-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-2,4-dione
SMILESO=C1CCCN1CCCn1c(O)cc(=O)n(CCc2ccc(F)cc2)c1=O
InChIInChI=1S/C19H22FN3O4/c20-15-6-4-14(5-7-15)8-12-23-18(26)13-17(25)22(19(23)27)11-2-10-21-9-1-3-16(21)24/h4-7,13,25H,1-3,8-12H2
InChIKeyHZJKBVFPMNSQJU-UHFFFAOYSA-N
XLogP1.11
TPSA84.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(4-fluorophenyl)ethyl]-6-hydroxy-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione
CID 91517216
1-[3-(4-chlorophenyl)propyl]pyrrolidin-2-one
CID 70380945
1-[2-(4-aminophenyl)ethyl]pyrrolidin-2-one
CID 10584340
1-(3-phenylpropyl)pyrrolidin-2-one;dihydrochloride
CID 142636287
1-[(4-fluorophenyl)methyl]azepan-2-one
CID 154273809
1-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]pyrrolidin-2-one
CID 47522140
1-[3-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17212007
N-[2-(4-fluorophenyl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 56890665
1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidin-2-one;2-[4-(4-fluorophenyl)phenyl]-2-oxoacetamide
CID 144811846
3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one
CID 56771613
6-[2-(4-fluorophenyl)imino-3-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 23857312
1-[2-(4-nitrophenyl)ethyl]pyrrolidin-2-one;hydrochloride
CID 70071583

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)ethyl]-6-hydroxy-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-2,4-dione?
The IUPAC name of 3-[2-(4-fluorophenyl)ethyl]-6-hydroxy-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-2,4-dione (CID 123654843) is 3-[2-(4-fluorophenyl)ethyl]-6-hydroxy-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[2-(4-fluorophenyl)ethyl]-6-hydroxy-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-2,4-dione?
The canonical SMILES for 3-[2-(4-fluorophenyl)ethyl]-6-hydroxy-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-2,4-dione is O=C1CCCN1CCCn1c(O)cc(=O)n(CCc2ccc(F)cc2)c1=O.
What is the InChIKey of 3-[2-(4-fluorophenyl)ethyl]-6-hydroxy-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-2,4-dione?
The InChIKey is HZJKBVFPMNSQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4/c20-15-6-4-14(5-7-15)8-12-23-18(26)13-17(25)22(19(23)27)11-2-10-21-9-1-3-16(21)24/h4-7,13,25H,1-3,8-12H2.
What are the key properties of 3-[2-(4-fluorophenyl)ethyl]-6-hydroxy-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-2,4-dione?
3-[2-(4-fluorophenyl)ethyl]-6-hydroxy-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-2,4-dione has a molecular weight of 375.40 g/mol, XLogP of 1.11, 7 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-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-2,4-dione is sourced from PubChem (CID 123654843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).