5-benzyl-2-[(2-fluorophenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione

C21H15FN2O4 — CID 59304588

IUPAC5-benzyl-2-[(2-fluorophenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESO=c1cc(Cc2ccccc2)c2c(=O)[nH]c(OCc3ccccc3F)nc2o1
InChIInChI=1S/C21H15FN2O4/c22-16-9-5-4-8-14(16)12-27-21-23-19(26)18-15(10-13-6-2-1-3-7-13)11-17(25)28-20(18)24-21/h1-9,11H,10,12H2,(H,23,24,26)
InChIKeyOGYSOOVTUHLEDN-UHFFFAOYSA-N
MW378.36 g/mol
LogP3.19
Rot. Bonds5

About 5-benzyl-2-[(2-fluorophenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione

5-benzyl-2-[(2-fluorophenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 59304588) has the molecular formula C21H15FN2O4 and a molecular weight of 378.36 g/mol. Its IUPAC name is 5-benzyl-2-[(2-fluorophenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-benzyl-2-[(2-fluorophenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID59304588
Molecular FormulaC21H15FN2O4
Molecular Weight378.36 g/mol
Exact Mass378.10
IUPAC Name5-benzyl-2-[(2-fluorophenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESO=c1cc(Cc2ccccc2)c2c(=O)[nH]c(OCc3ccccc3F)nc2o1
InChIInChI=1S/C21H15FN2O4/c22-16-9-5-4-8-14(16)12-27-21-23-19(26)18-15(10-13-6-2-1-3-7-13)11-17(25)28-20(18)24-21/h1-9,11H,10,12H2,(H,23,24,26)
InChIKeyOGYSOOVTUHLEDN-UHFFFAOYSA-N
XLogP3.19
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-[[4-(trifluoromethyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 57400595
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
cyclopentyl 2-[4-[[5-[(3-fluorophenyl)methyl]-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]cyclohexyl]acetate
CID 58187305
propan-2-yl 2-[4-[[5-[(3-fluorophenyl)methyl]-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]cyclohexyl]acetate
CID 58187514
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

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-[(2-fluorophenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-benzyl-2-[(2-fluorophenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 59304588) is 5-benzyl-2-[(2-fluorophenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-benzyl-2-[(2-fluorophenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-benzyl-2-[(2-fluorophenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is O=c1cc(Cc2ccccc2)c2c(=O)[nH]c(OCc3ccccc3F)nc2o1.
What is the InChIKey of 5-benzyl-2-[(2-fluorophenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is OGYSOOVTUHLEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O4/c22-16-9-5-4-8-14(16)12-27-21-23-19(26)18-15(10-13-6-2-1-3-7-13)11-17(25)28-20(18)24-21/h1-9,11H,10,12H2,(H,23,24,26).
What are the key properties of 5-benzyl-2-[(2-fluorophenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-benzyl-2-[(2-fluorophenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 378.36 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-[(2-fluorophenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 59304588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).