5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-(4-phenylbutyl)oxolan-2-yl]pyrimidine-2,4-dione

C20H26N2O4 — CID 54180454

IUPAC5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-(4-phenylbutyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESCCc1cn([C@H]2C[C@H](O)[C@@H](CCCCc3ccccc3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C20H26N2O4/c1-2-15-13-22(20(25)21-19(15)24)18-12-16(23)17(26-18)11-7-6-10-14-8-4-3-5-9-14/h3-5,8-9,13,16-18,23H,2,6-7,10-12H2,1H3,(H,21,24,25)/t16-,17+,18+/m0/s1
InChIKeyPBKHEEOCDRDDKB-RCCFBDPRSA-N
MW358.44 g/mol
LogP2.16
Rot. Bonds7

About 5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-(4-phenylbutyl)oxolan-2-yl]pyrimidine-2,4-dione

5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-(4-phenylbutyl)oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 54180454) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-(4-phenylbutyl)oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-(4-phenylbutyl)oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID54180454
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-(4-phenylbutyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESCCc1cn([C@H]2C[C@H](O)[C@@H](CCCCc3ccccc3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C20H26N2O4/c1-2-15-13-22(20(25)21-19(15)24)18-12-16(23)17(26-18)11-7-6-10-14-8-4-3-5-9-14/h3-5,8-9,13,16-18,23H,2,6-7,10-12H2,1H3,(H,21,24,25)/t16-,17+,18+/m0/s1
InChIKeyPBKHEEOCDRDDKB-RCCFBDPRSA-N
XLogP2.16
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-(4-phenylbutyl)oxolan-2-yl]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethyl-1-[(2S,5S)-4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 57021254
N-[[(2S,5S)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 57058563
1-[(2S,5S)-5-[(3S)-4-(2,6-dimethylphenyl)-3-hydroxybutyl]-4-hydroxyoxolan-2-yl]-5-ethylpyrimidine-2,4-dione
CID 67898057
3-[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-N-(3-phenylpropyl)propanamide
CID 51360174
N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-2-phenoxyacetamide
CID 5272855
1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 59189483
N-[[(2S,5S)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-3-phenylbutanamide
CID 57238319
N-[[5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-2-methylbenzamide
CID 21158116
2-(benzenesulfonyl)-N-[[(2S,5S)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]acetamide
CID 57168397
N-[[(2S,5S)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-2-fluorobenzamide
CID 57002143
[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl 4-methylbenzenesulfonate
CID 5280128
N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-9,10-dihydroanthracene-9-carboxamide
CID 5275938

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-(4-phenylbutyl)oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-(4-phenylbutyl)oxolan-2-yl]pyrimidine-2,4-dione (CID 54180454) is 5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-(4-phenylbutyl)oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-(4-phenylbutyl)oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-(4-phenylbutyl)oxolan-2-yl]pyrimidine-2,4-dione is CCc1cn([C@H]2C[C@H](O)[C@@H](CCCCc3ccccc3)O2)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-(4-phenylbutyl)oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is PBKHEEOCDRDDKB-RCCFBDPRSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-2-15-13-22(20(25)21-19(15)24)18-12-16(23)17(26-18)11-7-6-10-14-8-4-3-5-9-14/h3-5,8-9,13,16-18,23H,2,6-7,10-12H2,1H3,(H,21,24,25)/t16-,17+,18+/m0/s1.
What are the key properties of 5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-(4-phenylbutyl)oxolan-2-yl]pyrimidine-2,4-dione?
5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-(4-phenylbutyl)oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 358.44 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-(4-phenylbutyl)oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 54180454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).