3-benzyl-5-methyl-1-(4-phenylmethoxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione;ethane

C28H36N2O4 — CID 143737192

IUPAC3-benzyl-5-methyl-1-(4-phenylmethoxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione;ethane
SMILESCC.CCCC1OC(n2cc(C)c(=O)n(Cc3ccccc3)c2=O)CC1OCc1ccccc1
InChIInChI=1S/C26H30N2O4.C2H6/c1-3-10-22-23(31-18-21-13-8-5-9-14-21)15-24(32-22)27-16-19(2)25(29)28(26(27)30)17-20-11-6-4-7-12-20;1-2/h4-9,11-14,16,22-24H,3,10,15,17-18H2,1-2H3;1-2H3
InChIKeyCVPGKAPDCLIFAQ-UHFFFAOYSA-N
MW464.61 g/mol
LogP5.07
Rot. Bonds8

About 3-benzyl-5-methyl-1-(4-phenylmethoxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione;ethane

3-benzyl-5-methyl-1-(4-phenylmethoxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione;ethane (PubChem CID 143737192) has the molecular formula C28H36N2O4 and a molecular weight of 464.61 g/mol. Its IUPAC name is 3-benzyl-5-methyl-1-(4-phenylmethoxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione;ethane.

Molecular Properties

Compound Name3-benzyl-5-methyl-1-(4-phenylmethoxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione;ethane
PubChem CID143737192
Molecular FormulaC28H36N2O4
Molecular Weight464.61 g/mol
Exact Mass464.27
IUPAC Name3-benzyl-5-methyl-1-(4-phenylmethoxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione;ethane
SMILESCC.CCCC1OC(n2cc(C)c(=O)n(Cc3ccccc3)c2=O)CC1OCc1ccccc1
InChIInChI=1S/C26H30N2O4.C2H6/c1-3-10-22-23(31-18-21-13-8-5-9-14-21)15-24(32-22)27-16-19(2)25(29)28(26(27)30)17-20-11-6-4-7-12-20;1-2/h4-9,11-14,16,22-24H,3,10,15,17-18H2,1-2H3;1-2H3
InChIKeyCVPGKAPDCLIFAQ-UHFFFAOYSA-N
XLogP5.07
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.61
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-benzyl-1-[(2S,4R,5R)-5-(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 100910495
3-benzyl-5-methyl-1-(4-phenylmethoxy-5-propan-2-yloxolan-2-yl)pyrimidine-2,4-dione
CID 70897665
3-benzyl-1-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2-nitrophenyl)methoxy]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 150017629
3-benzyl-5-methyl-1-[5-methyl-4-[(3Z)-2-methylidenehexa-3,5-dienoxy]oxolan-2-yl]pyrimidine-2,4-dione
CID 143737174
1-[(4S)-5-hydroxy-4-methyloxolan-2-yl]-5-methyl-3-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 59973990
3-[(4-fluorophenyl)methyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 59760580
5-methyl-3-(phenylmethoxymethyl)-1-[(1R,3S,4R)-3-phenylmethoxy-4-(phenylmethoxymethyl)cyclopentyl]pyrimidine-2,4-dione
CID 11606312
[(2S,3S,5R)-2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-[5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]oxolan-3-yl] benzoate
CID 10930571
3-benzoyl-5-fluoro-1-[(2S,5S)-5-(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 57212411
1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-5-methyl-3-[(2-nitrophenyl)methyl]pyrimidine-2,4-dione
CID 58520496
2-[2-[2-[3-methyl-5-[5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]oxolan-2-yl]oxyethoxy]ethyl]isoindole-1,3-dione
CID 20707005
[(2S,3S,5R)-2-[3-[(2S,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]oxolan-3-yl]propoxy]-5-[5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]oxolan-3-yl] benzoate
CID 10441170

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-methyl-1-(4-phenylmethoxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione;ethane?
The IUPAC name of 3-benzyl-5-methyl-1-(4-phenylmethoxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione;ethane (CID 143737192) is 3-benzyl-5-methyl-1-(4-phenylmethoxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione;ethane.
What is the SMILES notation for 3-benzyl-5-methyl-1-(4-phenylmethoxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione;ethane?
The canonical SMILES for 3-benzyl-5-methyl-1-(4-phenylmethoxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione;ethane is CC.CCCC1OC(n2cc(C)c(=O)n(Cc3ccccc3)c2=O)CC1OCc1ccccc1.
What is the InChIKey of 3-benzyl-5-methyl-1-(4-phenylmethoxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione;ethane?
The InChIKey is CVPGKAPDCLIFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4.C2H6/c1-3-10-22-23(31-18-21-13-8-5-9-14-21)15-24(32-22)27-16-19(2)25(29)28(26(27)30)17-20-11-6-4-7-12-20;1-2/h4-9,11-14,16,22-24H,3,10,15,17-18H2,1-2H3;1-2H3.
What are the key properties of 3-benzyl-5-methyl-1-(4-phenylmethoxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione;ethane?
3-benzyl-5-methyl-1-(4-phenylmethoxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione;ethane has a molecular weight of 464.61 g/mol, XLogP of 5.07, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-methyl-1-(4-phenylmethoxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione;ethane is sourced from PubChem (CID 143737192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).