2-[[2-[3-(cyclobutyloxymethyl)phenyl]phenyl]methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione

C27H26N2O5 — CID 143333035

IUPAC2-[[2-[3-(cyclobutyloxymethyl)phenyl]phenyl]methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OCc3ccccc3-c3cccc(COC4CCC4)c3)[nH]c(=O)c12
InChIInChI=1S/C27H26N2O5/c1-2-18-14-23(30)34-26-24(18)25(31)28-27(29-26)33-16-20-8-3-4-12-22(20)19-9-5-7-17(13-19)15-32-21-10-6-11-21/h3-5,7-9,12-14,21H,2,6,10-11,15-16H2,1H3,(H,28,29,31)
InChIKeyNEYPLAFYDSCCGI-UHFFFAOYSA-N
MW458.51 g/mol
LogP4.75
Rot. Bonds8

About 2-[[2-[3-(cyclobutyloxymethyl)phenyl]phenyl]methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione

2-[[2-[3-(cyclobutyloxymethyl)phenyl]phenyl]methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 143333035) has the molecular formula C27H26N2O5 and a molecular weight of 458.51 g/mol. Its IUPAC name is 2-[[2-[3-(cyclobutyloxymethyl)phenyl]phenyl]methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-[[2-[3-(cyclobutyloxymethyl)phenyl]phenyl]methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID143333035
Molecular FormulaC27H26N2O5
Molecular Weight458.51 g/mol
Exact Mass458.18
IUPAC Name2-[[2-[3-(cyclobutyloxymethyl)phenyl]phenyl]methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OCc3ccccc3-c3cccc(COC4CCC4)c3)[nH]c(=O)c12
InChIInChI=1S/C27H26N2O5/c1-2-18-14-23(30)34-26-24(18)25(31)28-27(29-26)33-16-20-8-3-4-12-22(20)19-9-5-7-17(13-19)15-32-21-10-6-11-21/h3-5,7-9,12-14,21H,2,6,10-11,15-16H2,1H3,(H,28,29,31)
InChIKeyNEYPLAFYDSCCGI-UHFFFAOYSA-N
XLogP4.75
TPSA94.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-2-[[2-(trifluoromethyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 15605498
3-[2-[(5-ethyl-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl)oxymethyl]phenyl]benzonitrile
CID 57390148
5-ethyl-2-phenylmethoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 57397199
3-[3-[(5-ethyl-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl)oxymethyl]phenyl]benzonitrile
CID 57397202
5-ethyl-2-[[3-(trifluoromethyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 57400594
5-ethyl-2-(2-phenylethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 57397200
5-ethyl-2-[(4-fluorophenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 15605499
5-ethyl-2-[(1R)-1-(2-fluorophenyl)butoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 58317017
5-ethyl-2-[1-[2-(4-fluorophenyl)phenyl]ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 58757456
5-ethyl-2-[1-[2-(trifluoromethyl)phenyl]ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 59304551
5-benzyl-2-[(2-fluorophenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 59304588
5-ethyl-2-[(1S)-1-(2-fluorophenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 59304591

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-(cyclobutyloxymethyl)phenyl]phenyl]methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-[[2-[3-(cyclobutyloxymethyl)phenyl]phenyl]methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 143333035) is 2-[[2-[3-(cyclobutyloxymethyl)phenyl]phenyl]methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-[[2-[3-(cyclobutyloxymethyl)phenyl]phenyl]methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-[[2-[3-(cyclobutyloxymethyl)phenyl]phenyl]methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCc1cc(=O)oc2nc(OCc3ccccc3-c3cccc(COC4CCC4)c3)[nH]c(=O)c12.
What is the InChIKey of 2-[[2-[3-(cyclobutyloxymethyl)phenyl]phenyl]methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is NEYPLAFYDSCCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O5/c1-2-18-14-23(30)34-26-24(18)25(31)28-27(29-26)33-16-20-8-3-4-12-22(20)19-9-5-7-17(13-19)15-32-21-10-6-11-21/h3-5,7-9,12-14,21H,2,6,10-11,15-16H2,1H3,(H,28,29,31).
What are the key properties of 2-[[2-[3-(cyclobutyloxymethyl)phenyl]phenyl]methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
2-[[2-[3-(cyclobutyloxymethyl)phenyl]phenyl]methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 458.51 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-(cyclobutyloxymethyl)phenyl]phenyl]methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 143333035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).