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

C16H12F2N2O4 — CID 59304909

IUPAC2-[(3,5-difluorophenyl)methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OCc3cc(F)cc(F)c3)[nH]c(=O)c12
InChIInChI=1S/C16H12F2N2O4/c1-2-9-5-12(21)24-15-13(9)14(22)19-16(20-15)23-7-8-3-10(17)6-11(18)4-8/h3-6H,2,7H2,1H3,(H,19,20,22)
InChIKeyFJNSWPJXEABHBE-UHFFFAOYSA-N
MW334.28 g/mol
LogP2.30
Rot. Bonds4

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

2-[(3,5-difluorophenyl)methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 59304909) has the molecular formula C16H12F2N2O4 and a molecular weight of 334.28 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID59304909
Molecular FormulaC16H12F2N2O4
Molecular Weight334.28 g/mol
Exact Mass334.08
IUPAC Name2-[(3,5-difluorophenyl)methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OCc3cc(F)cc(F)c3)[nH]c(=O)c12
InChIInChI=1S/C16H12F2N2O4/c1-2-9-5-12(21)24-15-13(9)14(22)19-16(20-15)23-7-8-3-10(17)6-11(18)4-8/h3-6H,2,7H2,1H3,(H,19,20,22)
InChIKeyFJNSWPJXEABHBE-UHFFFAOYSA-N
XLogP2.30
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3,5-difluorophenyl)methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione with MolForge

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Launch Full Analysis

Related Compounds

5-ethyl-2-phenylmethoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 57397199
5-ethyl-2-[(1-methylpyridin-1-ium-4-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 123804461
2-[[3-(3-chloro-4-fluorophenyl)phenyl]methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 59304895
5-ethyl-2-(2-piperidin-1-ylethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 59304950
5-ethyl-2-[(4-methylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-ethyl-2-[[2-(trifluoromethyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 123447929
5-ethyl-2-[(2-methyl-5-phenylfuran-3-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 59304899
5-ethyl-2-[(1-methylpyridin-1-ium-3-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-ethyl-2-[(6-methyl-2-pyridinyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 123649358
2-[(1,1-dioxo-1-benzothiophen-2-yl)methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 59304749
2-[[2-(3-aminophenyl)phenyl]methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 89271872
5-ethyl-2-[(5-methyl-2-phenyltriazol-4-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 59304878
butane;5-ethyl-2-methyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 143517349
5-ethyl-2-(thian-4-yloxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 59304813

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-[(3,5-difluorophenyl)methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 59304909) is 2-[(3,5-difluorophenyl)methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-[(3,5-difluorophenyl)methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCc1cc(=O)oc2nc(OCc3cc(F)cc(F)c3)[nH]c(=O)c12.
What is the InChIKey of 2-[(3,5-difluorophenyl)methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is FJNSWPJXEABHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O4/c1-2-9-5-12(21)24-15-13(9)14(22)19-16(20-15)23-7-8-3-10(17)6-11(18)4-8/h3-6H,2,7H2,1H3,(H,19,20,22).
What are the key properties of 2-[(3,5-difluorophenyl)methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
2-[(3,5-difluorophenyl)methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 334.28 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 59304909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).