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

C12H8N2O3 — CID 12761967

IUPAC3-methylchromeno[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)nc2oc3ccccc3cc-2c1=O
InChIInChI=1S/C12H8N2O3/c1-14-11(15)8-6-7-4-2-3-5-9(7)17-10(8)13-12(14)16/h2-6H,1H3
InChIKeyOUKQVTIAGSETEF-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.99
Rot. Bonds

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

3-methylchromeno[2,3-d]pyrimidine-2,4-dione (PubChem CID 12761967) has the molecular formula C12H8N2O3 and a molecular weight of 228.21 g/mol. Its IUPAC name is 3-methylchromeno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methylchromeno[2,3-d]pyrimidine-2,4-dione
PubChem CID12761967
Molecular FormulaC12H8N2O3
Molecular Weight228.21 g/mol
Exact Mass228.05
IUPAC Name3-methylchromeno[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)nc2oc3ccccc3cc-2c1=O
InChIInChI=1S/C12H8N2O3/c1-14-11(15)8-6-7-4-2-3-5-9(7)17-10(8)13-12(14)16/h2-6H,1H3
InChIKeyOUKQVTIAGSETEF-UHFFFAOYSA-N
XLogP0.99
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.99
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-methylchromeno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-methylchromeno[2,3-d]pyrimidine-2,4-dione (CID 12761967) is 3-methylchromeno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-methylchromeno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-methylchromeno[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)nc2oc3ccccc3cc-2c1=O.
What is the InChIKey of 3-methylchromeno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is OUKQVTIAGSETEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O3/c1-14-11(15)8-6-7-4-2-3-5-9(7)17-10(8)13-12(14)16/h2-6H,1H3.
What are the key properties of 3-methylchromeno[2,3-d]pyrimidine-2,4-dione?
3-methylchromeno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 228.21 g/mol, XLogP of 0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylchromeno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 12761967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).