7,8-dimethylchromeno[2,3-d]pyrimidine-2,4-dione

C13H10N2O3 — CID 12693913

IUPAC7,8-dimethylchromeno[2,3-d]pyrimidine-2,4-dione
SMILESCc1cc2cc3c(=O)[nH]c(=O)nc-3oc2cc1C
InChIInChI=1S/C13H10N2O3/c1-6-3-8-5-9-11(16)14-13(17)15-12(9)18-10(8)4-7(6)2/h3-5H,1-2H3,(H,14,16,17)
InChIKeyWWJSTJOYPBMLAL-UHFFFAOYSA-N
MW242.23 g/mol
LogP1.60
Rot. Bonds

About 7,8-dimethylchromeno[2,3-d]pyrimidine-2,4-dione

7,8-dimethylchromeno[2,3-d]pyrimidine-2,4-dione (PubChem CID 12693913) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 7,8-dimethylchromeno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7,8-dimethylchromeno[2,3-d]pyrimidine-2,4-dione
PubChem CID12693913
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name7,8-dimethylchromeno[2,3-d]pyrimidine-2,4-dione
SMILESCc1cc2cc3c(=O)[nH]c(=O)nc-3oc2cc1C
InChIInChI=1S/C13H10N2O3/c1-6-3-8-5-9-11(16)14-13(17)15-12(9)18-10(8)4-7(6)2/h3-5H,1-2H3,(H,14,16,17)
InChIKeyWWJSTJOYPBMLAL-UHFFFAOYSA-N
XLogP1.60
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 7,8-dimethylchromeno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7,8-dimethylchromeno[2,3-d]pyrimidine-2,4-dione (CID 12693913) is 7,8-dimethylchromeno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7,8-dimethylchromeno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7,8-dimethylchromeno[2,3-d]pyrimidine-2,4-dione is Cc1cc2cc3c(=O)[nH]c(=O)nc-3oc2cc1C.
What is the InChIKey of 7,8-dimethylchromeno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is WWJSTJOYPBMLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c1-6-3-8-5-9-11(16)14-13(17)15-12(9)18-10(8)4-7(6)2/h3-5H,1-2H3,(H,14,16,17).
What are the key properties of 7,8-dimethylchromeno[2,3-d]pyrimidine-2,4-dione?
7,8-dimethylchromeno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 242.23 g/mol, XLogP of 1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethylchromeno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 12693913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).