3-benzyl-5-ethoxy-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione

C20H18N2O4 — CID 15529364

IUPAC3-benzyl-5-ethoxy-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione
SMILESCCOC1c2ccccc2Oc2[nH]c(=O)n(Cc3ccccc3)c(=O)c21
InChIInChI=1S/C20H18N2O4/c1-2-25-17-14-10-6-7-11-15(14)26-18-16(17)19(23)22(20(24)21-18)12-13-8-4-3-5-9-13/h3-11,17H,2,12H2,1H3,(H,21,24)
InChIKeyDIVFFAAGZFHZCQ-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.82
Rot. Bonds4

About 3-benzyl-5-ethoxy-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione

3-benzyl-5-ethoxy-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione (PubChem CID 15529364) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 3-benzyl-5-ethoxy-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-5-ethoxy-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione
PubChem CID15529364
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name3-benzyl-5-ethoxy-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione
SMILESCCOC1c2ccccc2Oc2[nH]c(=O)n(Cc3ccccc3)c(=O)c21
InChIInChI=1S/C20H18N2O4/c1-2-25-17-14-10-6-7-11-15(14)26-18-16(17)19(23)22(20(24)21-18)12-13-8-4-3-5-9-13/h3-11,17H,2,12H2,1H3,(H,21,24)
InChIKeyDIVFFAAGZFHZCQ-UHFFFAOYSA-N
XLogP2.82
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-ethoxy-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-benzyl-5-ethoxy-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione (CID 15529364) is 3-benzyl-5-ethoxy-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-benzyl-5-ethoxy-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-benzyl-5-ethoxy-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione is CCOC1c2ccccc2Oc2[nH]c(=O)n(Cc3ccccc3)c(=O)c21.
What is the InChIKey of 3-benzyl-5-ethoxy-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is DIVFFAAGZFHZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-2-25-17-14-10-6-7-11-15(14)26-18-16(17)19(23)22(20(24)21-18)12-13-8-4-3-5-9-13/h3-11,17H,2,12H2,1H3,(H,21,24).
What are the key properties of 3-benzyl-5-ethoxy-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione?
3-benzyl-5-ethoxy-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 350.37 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-ethoxy-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 15529364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).