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

C12H8N2O3 — CID 129279531

IUPAC8-methylchromeno[2,3-d]pyrimidine-2,4-dione
SMILESCc1ccc2cc3c(=O)[nH]c(=O)nc-3oc2c1
InChIInChI=1S/C12H8N2O3/c1-6-2-3-7-5-8-10(15)13-12(16)14-11(8)17-9(7)4-6/h2-5H,1H3,(H,13,15,16)
InChIKeyKWDPLOSPGSGQIE-UHFFFAOYSA-N
MW228.21 g/mol
LogP1.29
Rot. Bonds

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

8-methylchromeno[2,3-d]pyrimidine-2,4-dione (PubChem CID 129279531) has the molecular formula C12H8N2O3 and a molecular weight of 228.21 g/mol. Its IUPAC name is 8-methylchromeno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name8-methylchromeno[2,3-d]pyrimidine-2,4-dione
PubChem CID129279531
Molecular FormulaC12H8N2O3
Molecular Weight228.21 g/mol
Exact Mass228.05
IUPAC Name8-methylchromeno[2,3-d]pyrimidine-2,4-dione
SMILESCc1ccc2cc3c(=O)[nH]c(=O)nc-3oc2c1
InChIInChI=1S/C12H8N2O3/c1-6-2-3-7-5-8-10(15)13-12(16)14-11(8)17-9(7)4-6/h2-5H,1H3,(H,13,15,16)
InChIKeyKWDPLOSPGSGQIE-UHFFFAOYSA-N
XLogP1.29
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 51.29
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 8-methylchromeno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 8-methylchromeno[2,3-d]pyrimidine-2,4-dione (CID 129279531) is 8-methylchromeno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 8-methylchromeno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 8-methylchromeno[2,3-d]pyrimidine-2,4-dione is Cc1ccc2cc3c(=O)[nH]c(=O)nc-3oc2c1.
What is the InChIKey of 8-methylchromeno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is KWDPLOSPGSGQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O3/c1-6-2-3-7-5-8-10(15)13-12(16)14-11(8)17-9(7)4-6/h2-5H,1H3,(H,13,15,16).
What are the key properties of 8-methylchromeno[2,3-d]pyrimidine-2,4-dione?
8-methylchromeno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 228.21 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylchromeno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 129279531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).