3-(furan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)chromeno[2,3-d]pyrimidine-4,5-dione

C25H20N2O7 — CID 666364

IUPAC3-(furan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)chromeno[2,3-d]pyrimidine-4,5-dione
SMILESCOc1cc(-c2nc3oc4ccccc4c(=O)c3c(=O)n2Cc2ccco2)cc(OC)c1OC
InChIInChI=1S/C25H20N2O7/c1-30-18-11-14(12-19(31-2)22(18)32-3)23-26-24-20(21(28)16-8-4-5-9-17(16)34-24)25(29)27(23)13-15-7-6-10-33-15/h4-12H,13H2,1-3H3
InChIKeySLFSXVVIXBYCDQ-UHFFFAOYSA-N
MW460.44 g/mol
LogP3.84
Rot. Bonds6

About 3-(furan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)chromeno[2,3-d]pyrimidine-4,5-dione

3-(furan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)chromeno[2,3-d]pyrimidine-4,5-dione (PubChem CID 666364) has the molecular formula C25H20N2O7 and a molecular weight of 460.44 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)chromeno[2,3-d]pyrimidine-4,5-dione.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)chromeno[2,3-d]pyrimidine-4,5-dione
PubChem CID666364
Molecular FormulaC25H20N2O7
Molecular Weight460.44 g/mol
Exact Mass460.13
IUPAC Name3-(furan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)chromeno[2,3-d]pyrimidine-4,5-dione
SMILESCOc1cc(-c2nc3oc4ccccc4c(=O)c3c(=O)n2Cc2ccco2)cc(OC)c1OC
InChIInChI=1S/C25H20N2O7/c1-30-18-11-14(12-19(31-2)22(18)32-3)23-26-24-20(21(28)16-8-4-5-9-17(16)34-24)25(29)27(23)13-15-7-6-10-33-15/h4-12H,13H2,1-3H3
InChIKeySLFSXVVIXBYCDQ-UHFFFAOYSA-N
XLogP3.84
TPSA105.93 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.44
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)chromeno[2,3-d]pyrimidine-4,5-dione?
The IUPAC name of 3-(furan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)chromeno[2,3-d]pyrimidine-4,5-dione (CID 666364) is 3-(furan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)chromeno[2,3-d]pyrimidine-4,5-dione.
What is the SMILES notation for 3-(furan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)chromeno[2,3-d]pyrimidine-4,5-dione?
The canonical SMILES for 3-(furan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)chromeno[2,3-d]pyrimidine-4,5-dione is COc1cc(-c2nc3oc4ccccc4c(=O)c3c(=O)n2Cc2ccco2)cc(OC)c1OC.
What is the InChIKey of 3-(furan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)chromeno[2,3-d]pyrimidine-4,5-dione?
The InChIKey is SLFSXVVIXBYCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O7/c1-30-18-11-14(12-19(31-2)22(18)32-3)23-26-24-20(21(28)16-8-4-5-9-17(16)34-24)25(29)27(23)13-15-7-6-10-33-15/h4-12H,13H2,1-3H3.
What are the key properties of 3-(furan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)chromeno[2,3-d]pyrimidine-4,5-dione?
3-(furan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)chromeno[2,3-d]pyrimidine-4,5-dione has a molecular weight of 460.44 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)chromeno[2,3-d]pyrimidine-4,5-dione is sourced from PubChem (CID 666364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).