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

C21H18N2O5 — CID 59304899

IUPAC5-ethyl-2-[(2-methyl-5-phenylfuran-3-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OCc3cc(-c4ccccc4)oc3C)[nH]c(=O)c12
InChIInChI=1S/C21H18N2O5/c1-3-13-10-17(24)28-20-18(13)19(25)22-21(23-20)26-11-15-9-16(27-12(15)2)14-7-5-4-6-8-14/h4-10H,3,11H2,1-2H3,(H,22,23,25)
InChIKeyPOSSGSNBGOOTDX-UHFFFAOYSA-N
MW378.38 g/mol
LogP3.59
Rot. Bonds5

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

5-ethyl-2-[(2-methyl-5-phenylfuran-3-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 59304899) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is 5-ethyl-2-[(2-methyl-5-phenylfuran-3-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-ethyl-2-[(2-methyl-5-phenylfuran-3-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID59304899
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC Name5-ethyl-2-[(2-methyl-5-phenylfuran-3-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OCc3cc(-c4ccccc4)oc3C)[nH]c(=O)c12
InChIInChI=1S/C21H18N2O5/c1-3-13-10-17(24)28-20-18(13)19(25)22-21(23-20)26-11-15-9-16(27-12(15)2)14-7-5-4-6-8-14/h4-10H,3,11H2,1-2H3,(H,22,23,25)
InChIKeyPOSSGSNBGOOTDX-UHFFFAOYSA-N
XLogP3.59
TPSA98.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-ethyl-2-[(2-methyl-5-phenylfuran-3-yl)methoxy]-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
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
5-ethyl-2-[(1-methylpyridin-1-ium-4-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 123804461
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
2-[(3,5-difluorophenyl)methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 59304909
2-[[2-[3-(cyclobutyloxymethyl)phenyl]phenyl]methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 143333035
2-[(1,1-dioxo-1-benzothiophen-2-yl)methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 59304749
2-[[3-(3-chloro-4-fluorophenyl)phenyl]methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 59304895
5-ethyl-2-(3-methyl-1-phenylbutoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 163869895
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
5-ethyl-2-(2-piperidin-1-ylethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 59304950

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(2-methyl-5-phenylfuran-3-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-ethyl-2-[(2-methyl-5-phenylfuran-3-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 59304899) is 5-ethyl-2-[(2-methyl-5-phenylfuran-3-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-ethyl-2-[(2-methyl-5-phenylfuran-3-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-ethyl-2-[(2-methyl-5-phenylfuran-3-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCc1cc(=O)oc2nc(OCc3cc(-c4ccccc4)oc3C)[nH]c(=O)c12.
What is the InChIKey of 5-ethyl-2-[(2-methyl-5-phenylfuran-3-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is POSSGSNBGOOTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5/c1-3-13-10-17(24)28-20-18(13)19(25)22-21(23-20)26-11-15-9-16(27-12(15)2)14-7-5-4-6-8-14/h4-10H,3,11H2,1-2H3,(H,22,23,25).
What are the key properties of 5-ethyl-2-[(2-methyl-5-phenylfuran-3-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-ethyl-2-[(2-methyl-5-phenylfuran-3-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 378.38 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(2-methyl-5-phenylfuran-3-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 59304899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).