2-(difluoromethyl)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione

C10H8F2N2O3 — CID 53318768

IUPAC2-(difluoromethyl)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(C(F)F)[nH]c(=O)c12
InChIInChI=1S/C10H8F2N2O3/c1-2-4-3-5(15)17-10-6(4)9(16)13-8(14-10)7(11)12/h3,7H,2H2,1H3,(H,13,14,16)
InChIKeyZKZYHWXINWUQLX-UHFFFAOYSA-N
MW242.18 g/mol
LogP1.38
Rot. Bonds2

About 2-(difluoromethyl)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione

2-(difluoromethyl)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 53318768) has the molecular formula C10H8F2N2O3 and a molecular weight of 242.18 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-(difluoromethyl)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID53318768
Molecular FormulaC10H8F2N2O3
Molecular Weight242.18 g/mol
Exact Mass242.05
IUPAC Name2-(difluoromethyl)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(C(F)F)[nH]c(=O)c12
InChIInChI=1S/C10H8F2N2O3/c1-2-4-3-5(15)17-10-6(4)9(16)13-8(14-10)7(11)12/h3,7H,2H2,1H3,(H,13,14,16)
InChIKeyZKZYHWXINWUQLX-UHFFFAOYSA-N
XLogP1.38
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.18
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(difluoromethyl)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-(difluoromethyl)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 53318768) is 2-(difluoromethyl)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-(difluoromethyl)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-(difluoromethyl)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCc1cc(=O)oc2nc(C(F)F)[nH]c(=O)c12.
What is the InChIKey of 2-(difluoromethyl)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is ZKZYHWXINWUQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O3/c1-2-4-3-5(15)17-10-6(4)9(16)13-8(14-10)7(11)12/h3,7H,2H2,1H3,(H,13,14,16).
What are the key properties of 2-(difluoromethyl)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
2-(difluoromethyl)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 242.18 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 53318768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).