5-ethyl-2-[(1S)-1-(2-fluorophenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione

C17H15FN2O4 — CID 59304591

IUPAC5-ethyl-2-[(1S)-1-(2-fluorophenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(O[C@@H](C)c3ccccc3F)[nH]c(=O)c12
InChIInChI=1S/C17H15FN2O4/c1-3-10-8-13(21)24-16-14(10)15(22)19-17(20-16)23-9(2)11-6-4-5-7-12(11)18/h4-9H,3H2,1-2H3,(H,19,20,22)/t9-/m0/s1
InChIKeyRINTUAQMJHIXAP-VIFPVBQESA-N
MW330.31 g/mol
LogP2.72
Rot. Bonds4

About 5-ethyl-2-[(1S)-1-(2-fluorophenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione

5-ethyl-2-[(1S)-1-(2-fluorophenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 59304591) has the molecular formula C17H15FN2O4 and a molecular weight of 330.31 g/mol. Its IUPAC name is 5-ethyl-2-[(1S)-1-(2-fluorophenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-ethyl-2-[(1S)-1-(2-fluorophenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID59304591
Molecular FormulaC17H15FN2O4
Molecular Weight330.31 g/mol
Exact Mass330.10
IUPAC Name5-ethyl-2-[(1S)-1-(2-fluorophenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(O[C@@H](C)c3ccccc3F)[nH]c(=O)c12
InChIInChI=1S/C17H15FN2O4/c1-3-10-8-13(21)24-16-14(10)15(22)19-17(20-16)23-9(2)11-6-4-5-7-12(11)18/h4-9H,3H2,1-2H3,(H,19,20,22)/t9-/m0/s1
InChIKeyRINTUAQMJHIXAP-VIFPVBQESA-N
XLogP2.72
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 52.72
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-[(2-methoxyphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 57395376
5-ethyl-2-[(3-methoxyphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 57398905
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-methoxyphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 57397201
5-ethyl-2-[(4-fluorophenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 15605499
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

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(1S)-1-(2-fluorophenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-ethyl-2-[(1S)-1-(2-fluorophenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 59304591) is 5-ethyl-2-[(1S)-1-(2-fluorophenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-ethyl-2-[(1S)-1-(2-fluorophenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-ethyl-2-[(1S)-1-(2-fluorophenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCc1cc(=O)oc2nc(O[C@@H](C)c3ccccc3F)[nH]c(=O)c12.
What is the InChIKey of 5-ethyl-2-[(1S)-1-(2-fluorophenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is RINTUAQMJHIXAP-VIFPVBQESA-N. The full InChI is InChI=1S/C17H15FN2O4/c1-3-10-8-13(21)24-16-14(10)15(22)19-17(20-16)23-9(2)11-6-4-5-7-12(11)18/h4-9H,3H2,1-2H3,(H,19,20,22)/t9-/m0/s1.
What are the key properties of 5-ethyl-2-[(1S)-1-(2-fluorophenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-ethyl-2-[(1S)-1-(2-fluorophenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 330.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(1S)-1-(2-fluorophenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 59304591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).