5-[[4-(2-fluorophenyl)phenyl]methyl]-6,8a-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione

C20H15FN2O4 — CID 91253231

IUPAC5-[[4-(2-fluorophenyl)phenyl]methyl]-6,8a-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
SMILESO=C1NC(=O)C2=C(Cc3ccc(-c4ccccc4F)cc3)CC(=O)OC2N1
InChIInChI=1S/C20H15FN2O4/c21-15-4-2-1-3-14(15)12-7-5-11(6-8-12)9-13-10-16(24)27-19-17(13)18(25)22-20(26)23-19/h1-8,19H,9-10H2,(H2,22,23,25,26)
InChIKeyUFFLDZLHWSPKAU-UHFFFAOYSA-N
MW366.35 g/mol
LogP2.44
Rot. Bonds3

About 5-[[4-(2-fluorophenyl)phenyl]methyl]-6,8a-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione

5-[[4-(2-fluorophenyl)phenyl]methyl]-6,8a-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 91253231) has the molecular formula C20H15FN2O4 and a molecular weight of 366.35 g/mol. Its IUPAC name is 5-[[4-(2-fluorophenyl)phenyl]methyl]-6,8a-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-[[4-(2-fluorophenyl)phenyl]methyl]-6,8a-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
PubChem CID91253231
Molecular FormulaC20H15FN2O4
Molecular Weight366.35 g/mol
Exact Mass366.10
IUPAC Name5-[[4-(2-fluorophenyl)phenyl]methyl]-6,8a-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
SMILESO=C1NC(=O)C2=C(Cc3ccc(-c4ccccc4F)cc3)CC(=O)OC2N1
InChIInChI=1S/C20H15FN2O4/c21-15-4-2-1-3-14(15)12-7-5-11(6-8-12)9-13-10-16(24)27-19-17(13)18(25)22-20(26)23-19/h1-8,19H,9-10H2,(H2,22,23,25,26)
InChIKeyUFFLDZLHWSPKAU-UHFFFAOYSA-N
XLogP2.44
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[4-(2-fluorophenyl)phenyl]methyl]-6,8a-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione with MolForge

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Related Compounds

5-[[4-(2-fluorophenyl)phenyl]methyl]-4a,8a-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 59304765
1-[5-[3-(1-Methylcyclopropyl)propyl]-2,4-dioxo-7-propylidene-6,8a-dihydropyrano[2,3-d]pyrimidin-1-yl]ethyl 2-(3-fluoro-4-phenylphenyl)propanoate
CID 91148764
1-[5-[3-(1-methylcyclopropyl)propyl]-2,4-dioxospiro[6,8a-dihydro-1H-pyrano[2,3-d]pyrimidine-7,2'-oxirane]-3-yl]ethyl 2-(3-fluoro-4-phenylphenyl)propanoate
CID 91326411
CID 89271896
CID 89271896
ethane;5-[[4-(2-fluorophenyl)phenyl]methyl]-4a,8a-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 143674446

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-fluorophenyl)phenyl]methyl]-6,8a-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-[[4-(2-fluorophenyl)phenyl]methyl]-6,8a-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione (CID 91253231) is 5-[[4-(2-fluorophenyl)phenyl]methyl]-6,8a-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-[[4-(2-fluorophenyl)phenyl]methyl]-6,8a-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-[[4-(2-fluorophenyl)phenyl]methyl]-6,8a-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione is O=C1NC(=O)C2=C(Cc3ccc(-c4ccccc4F)cc3)CC(=O)OC2N1.
What is the InChIKey of 5-[[4-(2-fluorophenyl)phenyl]methyl]-6,8a-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is UFFLDZLHWSPKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O4/c21-15-4-2-1-3-14(15)12-7-5-11(6-8-12)9-13-10-16(24)27-19-17(13)18(25)22-20(26)23-19/h1-8,19H,9-10H2,(H2,22,23,25,26).
What are the key properties of 5-[[4-(2-fluorophenyl)phenyl]methyl]-6,8a-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
5-[[4-(2-fluorophenyl)phenyl]methyl]-6,8a-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 366.35 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-fluorophenyl)phenyl]methyl]-6,8a-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 91253231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).