3-ethylchromeno[2,3-d]pyrimidine-2,4-dione

C13H10N2O3 — CID 70676627

IUPAC3-ethylchromeno[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)nc2oc3ccccc3cc-2c1=O
InChIInChI=1S/C13H10N2O3/c1-2-15-12(16)9-7-8-5-3-4-6-10(8)18-11(9)14-13(15)17/h3-7H,2H2,1H3
InChIKeyBXYUXUYCOVWAHD-UHFFFAOYSA-N
MW242.23 g/mol
LogP1.47
Rot. Bonds1

About 3-ethylchromeno[2,3-d]pyrimidine-2,4-dione

3-ethylchromeno[2,3-d]pyrimidine-2,4-dione (PubChem CID 70676627) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 3-ethylchromeno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-ethylchromeno[2,3-d]pyrimidine-2,4-dione
PubChem CID70676627
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name3-ethylchromeno[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)nc2oc3ccccc3cc-2c1=O
InChIInChI=1S/C13H10N2O3/c1-2-15-12(16)9-7-8-5-3-4-6-10(8)18-11(9)14-13(15)17/h3-7H,2H2,1H3
InChIKeyBXYUXUYCOVWAHD-UHFFFAOYSA-N
XLogP1.47
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 51.47
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-ethylchromeno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-ethylchromeno[2,3-d]pyrimidine-2,4-dione (CID 70676627) is 3-ethylchromeno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-ethylchromeno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-ethylchromeno[2,3-d]pyrimidine-2,4-dione is CCn1c(=O)nc2oc3ccccc3cc-2c1=O.
What is the InChIKey of 3-ethylchromeno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is BXYUXUYCOVWAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c1-2-15-12(16)9-7-8-5-3-4-6-10(8)18-11(9)14-13(15)17/h3-7H,2H2,1H3.
What are the key properties of 3-ethylchromeno[2,3-d]pyrimidine-2,4-dione?
3-ethylchromeno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 242.23 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylchromeno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 70676627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).