2-ethyl-3-(furan-2-ylmethyl)-8-methoxychromeno[2,3-d]pyrimidine-4,5-dione

C19H16N2O5 — CID 666107

IUPAC2-ethyl-3-(furan-2-ylmethyl)-8-methoxychromeno[2,3-d]pyrimidine-4,5-dione
SMILESCCc1nc2oc3cc(OC)ccc3c(=O)c2c(=O)n1Cc1ccco1
InChIInChI=1S/C19H16N2O5/c1-3-15-20-18-16(19(23)21(15)10-12-5-4-8-25-12)17(22)13-7-6-11(24-2)9-14(13)26-18/h4-9H,3,10H2,1-2H3
InChIKeyBKAPQHUNEAUVSH-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.72
Rot. Bonds4

About 2-ethyl-3-(furan-2-ylmethyl)-8-methoxychromeno[2,3-d]pyrimidine-4,5-dione

2-ethyl-3-(furan-2-ylmethyl)-8-methoxychromeno[2,3-d]pyrimidine-4,5-dione (PubChem CID 666107) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-ethyl-3-(furan-2-ylmethyl)-8-methoxychromeno[2,3-d]pyrimidine-4,5-dione.

Molecular Properties

Compound Name2-ethyl-3-(furan-2-ylmethyl)-8-methoxychromeno[2,3-d]pyrimidine-4,5-dione
PubChem CID666107
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name2-ethyl-3-(furan-2-ylmethyl)-8-methoxychromeno[2,3-d]pyrimidine-4,5-dione
SMILESCCc1nc2oc3cc(OC)ccc3c(=O)c2c(=O)n1Cc1ccco1
InChIInChI=1S/C19H16N2O5/c1-3-15-20-18-16(19(23)21(15)10-12-5-4-8-25-12)17(22)13-7-6-11(24-2)9-14(13)26-18/h4-9H,3,10H2,1-2H3
InChIKeyBKAPQHUNEAUVSH-UHFFFAOYSA-N
XLogP2.72
TPSA87.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 2-ethyl-3-(furan-2-ylmethyl)-8-methoxychromeno[2,3-d]pyrimidine-4,5-dione?
The IUPAC name of 2-ethyl-3-(furan-2-ylmethyl)-8-methoxychromeno[2,3-d]pyrimidine-4,5-dione (CID 666107) is 2-ethyl-3-(furan-2-ylmethyl)-8-methoxychromeno[2,3-d]pyrimidine-4,5-dione.
What is the SMILES notation for 2-ethyl-3-(furan-2-ylmethyl)-8-methoxychromeno[2,3-d]pyrimidine-4,5-dione?
The canonical SMILES for 2-ethyl-3-(furan-2-ylmethyl)-8-methoxychromeno[2,3-d]pyrimidine-4,5-dione is CCc1nc2oc3cc(OC)ccc3c(=O)c2c(=O)n1Cc1ccco1.
What is the InChIKey of 2-ethyl-3-(furan-2-ylmethyl)-8-methoxychromeno[2,3-d]pyrimidine-4,5-dione?
The InChIKey is BKAPQHUNEAUVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-3-15-20-18-16(19(23)21(15)10-12-5-4-8-25-12)17(22)13-7-6-11(24-2)9-14(13)26-18/h4-9H,3,10H2,1-2H3.
What are the key properties of 2-ethyl-3-(furan-2-ylmethyl)-8-methoxychromeno[2,3-d]pyrimidine-4,5-dione?
2-ethyl-3-(furan-2-ylmethyl)-8-methoxychromeno[2,3-d]pyrimidine-4,5-dione has a molecular weight of 352.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(furan-2-ylmethyl)-8-methoxychromeno[2,3-d]pyrimidine-4,5-dione is sourced from PubChem (CID 666107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).