(6-ethoxypyrimidin-4-yl)-(2-fluorophenyl)methanone

C13H11FN2O2 — CID 71158294

IUPAC(6-ethoxypyrimidin-4-yl)-(2-fluorophenyl)methanone
SMILESCCOc1cc(C(=O)c2ccccc2F)ncn1
InChIInChI=1S/C13H11FN2O2/c1-2-18-12-7-11(15-8-16-12)13(17)9-5-3-4-6-10(9)14/h3-8H,2H2,1H3
InChIKeyXWWNLEVKPWMXHS-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.25
Rot. Bonds4

About (6-ethoxypyrimidin-4-yl)-(2-fluorophenyl)methanone

(6-ethoxypyrimidin-4-yl)-(2-fluorophenyl)methanone (PubChem CID 71158294) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is (6-ethoxypyrimidin-4-yl)-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name(6-ethoxypyrimidin-4-yl)-(2-fluorophenyl)methanone
PubChem CID71158294
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name(6-ethoxypyrimidin-4-yl)-(2-fluorophenyl)methanone
SMILESCCOc1cc(C(=O)c2ccccc2F)ncn1
InChIInChI=1S/C13H11FN2O2/c1-2-18-12-7-11(15-8-16-12)13(17)9-5-3-4-6-10(9)14/h3-8H,2H2,1H3
InChIKeyXWWNLEVKPWMXHS-UHFFFAOYSA-N
XLogP2.25
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-ethoxypyrimidin-4-yl)-(2-fluorophenyl)methanone?
The IUPAC name of (6-ethoxypyrimidin-4-yl)-(2-fluorophenyl)methanone (CID 71158294) is (6-ethoxypyrimidin-4-yl)-(2-fluorophenyl)methanone.
What is the SMILES notation for (6-ethoxypyrimidin-4-yl)-(2-fluorophenyl)methanone?
The canonical SMILES for (6-ethoxypyrimidin-4-yl)-(2-fluorophenyl)methanone is CCOc1cc(C(=O)c2ccccc2F)ncn1.
What is the InChIKey of (6-ethoxypyrimidin-4-yl)-(2-fluorophenyl)methanone?
The InChIKey is XWWNLEVKPWMXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c1-2-18-12-7-11(15-8-16-12)13(17)9-5-3-4-6-10(9)14/h3-8H,2H2,1H3.
What are the key properties of (6-ethoxypyrimidin-4-yl)-(2-fluorophenyl)methanone?
(6-ethoxypyrimidin-4-yl)-(2-fluorophenyl)methanone has a molecular weight of 246.24 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethoxypyrimidin-4-yl)-(2-fluorophenyl)methanone is sourced from PubChem (CID 71158294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).