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

C10H9FN2O3 — CID 53326616

IUPAC5-ethyl-2-(fluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(CF)[nH]c(=O)c12
InChIInChI=1S/C10H9FN2O3/c1-2-5-3-7(14)16-10-8(5)9(15)12-6(4-11)13-10/h3H,2,4H2,1H3,(H,12,13,15)
InChIKeyZDXXSJCBFVHYRL-UHFFFAOYSA-N
MW224.19 g/mol
LogP0.91
Rot. Bonds2

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

5-ethyl-2-(fluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 53326616) has the molecular formula C10H9FN2O3 and a molecular weight of 224.19 g/mol. Its IUPAC name is 5-ethyl-2-(fluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-ethyl-2-(fluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID53326616
Molecular FormulaC10H9FN2O3
Molecular Weight224.19 g/mol
Exact Mass224.06
IUPAC Name5-ethyl-2-(fluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(CF)[nH]c(=O)c12
InChIInChI=1S/C10H9FN2O3/c1-2-5-3-7(14)16-10-8(5)9(15)12-6(4-11)13-10/h3H,2,4H2,1H3,(H,12,13,15)
InChIKeyZDXXSJCBFVHYRL-UHFFFAOYSA-N
XLogP0.91
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(fluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-ethyl-2-(fluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 53326616) is 5-ethyl-2-(fluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-ethyl-2-(fluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-ethyl-2-(fluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCc1cc(=O)oc2nc(CF)[nH]c(=O)c12.
What is the InChIKey of 5-ethyl-2-(fluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is ZDXXSJCBFVHYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O3/c1-2-5-3-7(14)16-10-8(5)9(15)12-6(4-11)13-10/h3H,2,4H2,1H3,(H,12,13,15).
What are the key properties of 5-ethyl-2-(fluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-ethyl-2-(fluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 224.19 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(fluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 53326616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).