5-(6-ethyl-5-fluoropyrimidin-4-yl)oxy-2,3-dihydroinden-1-one

C15H13FN2O2 — CID 100633134

IUPAC5-(6-ethyl-5-fluoropyrimidin-4-yl)oxy-2,3-dihydroinden-1-one
SMILESCCc1ncnc(Oc2ccc3c(c2)CCC3=O)c1F
InChIInChI=1S/C15H13FN2O2/c1-2-12-14(16)15(18-8-17-12)20-10-4-5-11-9(7-10)3-6-13(11)19/h4-5,7-8H,2-3,6H2,1H3
InChIKeyMRXVRUCAJSTPIR-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.10
Rot. Bonds3

About 5-(6-ethyl-5-fluoropyrimidin-4-yl)oxy-2,3-dihydroinden-1-one

5-(6-ethyl-5-fluoropyrimidin-4-yl)oxy-2,3-dihydroinden-1-one (PubChem CID 100633134) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 5-(6-ethyl-5-fluoropyrimidin-4-yl)oxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-(6-ethyl-5-fluoropyrimidin-4-yl)oxy-2,3-dihydroinden-1-one
PubChem CID100633134
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name5-(6-ethyl-5-fluoropyrimidin-4-yl)oxy-2,3-dihydroinden-1-one
SMILESCCc1ncnc(Oc2ccc3c(c2)CCC3=O)c1F
InChIInChI=1S/C15H13FN2O2/c1-2-12-14(16)15(18-8-17-12)20-10-4-5-11-9(7-10)3-6-13(11)19/h4-5,7-8H,2-3,6H2,1H3
InChIKeyMRXVRUCAJSTPIR-UHFFFAOYSA-N
XLogP3.10
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(6-ethyl-5-fluoropyrimidin-4-yl)oxy-2,3-dihydroinden-1-one?
The IUPAC name of 5-(6-ethyl-5-fluoropyrimidin-4-yl)oxy-2,3-dihydroinden-1-one (CID 100633134) is 5-(6-ethyl-5-fluoropyrimidin-4-yl)oxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-(6-ethyl-5-fluoropyrimidin-4-yl)oxy-2,3-dihydroinden-1-one?
The canonical SMILES for 5-(6-ethyl-5-fluoropyrimidin-4-yl)oxy-2,3-dihydroinden-1-one is CCc1ncnc(Oc2ccc3c(c2)CCC3=O)c1F.
What is the InChIKey of 5-(6-ethyl-5-fluoropyrimidin-4-yl)oxy-2,3-dihydroinden-1-one?
The InChIKey is MRXVRUCAJSTPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c1-2-12-14(16)15(18-8-17-12)20-10-4-5-11-9(7-10)3-6-13(11)19/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 5-(6-ethyl-5-fluoropyrimidin-4-yl)oxy-2,3-dihydroinden-1-one?
5-(6-ethyl-5-fluoropyrimidin-4-yl)oxy-2,3-dihydroinden-1-one has a molecular weight of 272.28 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-ethyl-5-fluoropyrimidin-4-yl)oxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 100633134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).