3-benzyl-5-methyl-1-(4-phenylmethoxy-5-propan-2-yloxolan-2-yl)pyrimidine-2,4-dione

C26H30N2O4 — CID 70897665

IUPAC3-benzyl-5-methyl-1-(4-phenylmethoxy-5-propan-2-yloxolan-2-yl)pyrimidine-2,4-dione
SMILESCc1cn(C2CC(OCc3ccccc3)C(C(C)C)O2)c(=O)n(Cc2ccccc2)c1=O
InChIInChI=1S/C26H30N2O4/c1-18(2)24-22(31-17-21-12-8-5-9-13-21)14-23(32-24)27-15-19(3)25(29)28(26(27)30)16-20-10-6-4-7-11-20/h4-13,15,18,22-24H,14,16-17H2,1-3H3
InChIKeyQOAWBFSHSKAUBC-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.90
Rot. Bonds7

About 3-benzyl-5-methyl-1-(4-phenylmethoxy-5-propan-2-yloxolan-2-yl)pyrimidine-2,4-dione

3-benzyl-5-methyl-1-(4-phenylmethoxy-5-propan-2-yloxolan-2-yl)pyrimidine-2,4-dione (PubChem CID 70897665) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is 3-benzyl-5-methyl-1-(4-phenylmethoxy-5-propan-2-yloxolan-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-5-methyl-1-(4-phenylmethoxy-5-propan-2-yloxolan-2-yl)pyrimidine-2,4-dione
PubChem CID70897665
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC Name3-benzyl-5-methyl-1-(4-phenylmethoxy-5-propan-2-yloxolan-2-yl)pyrimidine-2,4-dione
SMILESCc1cn(C2CC(OCc3ccccc3)C(C(C)C)O2)c(=O)n(Cc2ccccc2)c1=O
InChIInChI=1S/C26H30N2O4/c1-18(2)24-22(31-17-21-12-8-5-9-13-21)14-23(32-24)27-15-19(3)25(29)28(26(27)30)16-20-10-6-4-7-11-20/h4-13,15,18,22-24H,14,16-17H2,1-3H3
InChIKeyQOAWBFSHSKAUBC-UHFFFAOYSA-N
XLogP3.90
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.90
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-propyloxolan-2-yl)pyrimidine-2,4-dione;ethane
CID 143737192
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
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-[(4-fluorophenyl)methyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 59760580
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
3-benzoyl-5-fluoro-1-[(2S,5S)-5-(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 57212411
3-[(4-fluorophenyl)methyl]-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 71088808
5-methyl-1-[(2R,4R)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 54768279

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-methyl-1-(4-phenylmethoxy-5-propan-2-yloxolan-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 3-benzyl-5-methyl-1-(4-phenylmethoxy-5-propan-2-yloxolan-2-yl)pyrimidine-2,4-dione (CID 70897665) is 3-benzyl-5-methyl-1-(4-phenylmethoxy-5-propan-2-yloxolan-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-benzyl-5-methyl-1-(4-phenylmethoxy-5-propan-2-yloxolan-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 3-benzyl-5-methyl-1-(4-phenylmethoxy-5-propan-2-yloxolan-2-yl)pyrimidine-2,4-dione is Cc1cn(C2CC(OCc3ccccc3)C(C(C)C)O2)c(=O)n(Cc2ccccc2)c1=O.
What is the InChIKey of 3-benzyl-5-methyl-1-(4-phenylmethoxy-5-propan-2-yloxolan-2-yl)pyrimidine-2,4-dione?
The InChIKey is QOAWBFSHSKAUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-18(2)24-22(31-17-21-12-8-5-9-13-21)14-23(32-24)27-15-19(3)25(29)28(26(27)30)16-20-10-6-4-7-11-20/h4-13,15,18,22-24H,14,16-17H2,1-3H3.
What are the key properties of 3-benzyl-5-methyl-1-(4-phenylmethoxy-5-propan-2-yloxolan-2-yl)pyrimidine-2,4-dione?
3-benzyl-5-methyl-1-(4-phenylmethoxy-5-propan-2-yloxolan-2-yl)pyrimidine-2,4-dione has a molecular weight of 434.54 g/mol, XLogP of 3.90, 7 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-propan-2-yloxolan-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 70897665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).