3-benzyl-2-methylchromeno[2,3-d]pyrimidine-4,5-dione

C19H14N2O3 — CID 666795

IUPAC3-benzyl-2-methylchromeno[2,3-d]pyrimidine-4,5-dione
SMILESCc1nc2oc3ccccc3c(=O)c2c(=O)n1Cc1ccccc1
InChIInChI=1S/C19H14N2O3/c1-12-20-18-16(17(22)14-9-5-6-10-15(14)24-18)19(23)21(12)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChIKeyZEIFRZVPSYBDGV-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.86
Rot. Bonds2

About 3-benzyl-2-methylchromeno[2,3-d]pyrimidine-4,5-dione

3-benzyl-2-methylchromeno[2,3-d]pyrimidine-4,5-dione (PubChem CID 666795) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is 3-benzyl-2-methylchromeno[2,3-d]pyrimidine-4,5-dione.

Molecular Properties

Compound Name3-benzyl-2-methylchromeno[2,3-d]pyrimidine-4,5-dione
PubChem CID666795
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name3-benzyl-2-methylchromeno[2,3-d]pyrimidine-4,5-dione
SMILESCc1nc2oc3ccccc3c(=O)c2c(=O)n1Cc1ccccc1
InChIInChI=1S/C19H14N2O3/c1-12-20-18-16(17(22)14-9-5-6-10-15(14)24-18)19(23)21(12)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChIKeyZEIFRZVPSYBDGV-UHFFFAOYSA-N
XLogP2.86
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-benzyl-2-methylchromeno[2,3-d]pyrimidine-4,5-dione?
The IUPAC name of 3-benzyl-2-methylchromeno[2,3-d]pyrimidine-4,5-dione (CID 666795) is 3-benzyl-2-methylchromeno[2,3-d]pyrimidine-4,5-dione.
What is the SMILES notation for 3-benzyl-2-methylchromeno[2,3-d]pyrimidine-4,5-dione?
The canonical SMILES for 3-benzyl-2-methylchromeno[2,3-d]pyrimidine-4,5-dione is Cc1nc2oc3ccccc3c(=O)c2c(=O)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-methylchromeno[2,3-d]pyrimidine-4,5-dione?
The InChIKey is ZEIFRZVPSYBDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c1-12-20-18-16(17(22)14-9-5-6-10-15(14)24-18)19(23)21(12)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3.
What are the key properties of 3-benzyl-2-methylchromeno[2,3-d]pyrimidine-4,5-dione?
3-benzyl-2-methylchromeno[2,3-d]pyrimidine-4,5-dione has a molecular weight of 318.33 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-methylchromeno[2,3-d]pyrimidine-4,5-dione is sourced from PubChem (CID 666795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).