6-(4-ethoxyphenyl)-3-[(3-fluorophenyl)methyl]pyrimidin-4-one

C19H17FN2O2 — CID 30463195

IUPAC6-(4-ethoxyphenyl)-3-[(3-fluorophenyl)methyl]pyrimidin-4-one
SMILESCCOc1ccc(-c2cc(=O)n(Cc3cccc(F)c3)cn2)cc1
InChIInChI=1S/C19H17FN2O2/c1-2-24-17-8-6-15(7-9-17)18-11-19(23)22(13-21-18)12-14-4-3-5-16(20)10-14/h3-11,13H,2,12H2,1H3
InChIKeyVDPRLZCKBGPHTN-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.50
Rot. Bonds5

About 6-(4-ethoxyphenyl)-3-[(3-fluorophenyl)methyl]pyrimidin-4-one

6-(4-ethoxyphenyl)-3-[(3-fluorophenyl)methyl]pyrimidin-4-one (PubChem CID 30463195) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-3-[(3-fluorophenyl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-3-[(3-fluorophenyl)methyl]pyrimidin-4-one
PubChem CID30463195
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name6-(4-ethoxyphenyl)-3-[(3-fluorophenyl)methyl]pyrimidin-4-one
SMILESCCOc1ccc(-c2cc(=O)n(Cc3cccc(F)c3)cn2)cc1
InChIInChI=1S/C19H17FN2O2/c1-2-24-17-8-6-15(7-9-17)18-11-19(23)22(13-21-18)12-14-4-3-5-16(20)10-14/h3-11,13H,2,12H2,1H3
InChIKeyVDPRLZCKBGPHTN-UHFFFAOYSA-N
XLogP3.50
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-3-[(3-fluorophenyl)methyl]pyrimidin-4-one?
The IUPAC name of 6-(4-ethoxyphenyl)-3-[(3-fluorophenyl)methyl]pyrimidin-4-one (CID 30463195) is 6-(4-ethoxyphenyl)-3-[(3-fluorophenyl)methyl]pyrimidin-4-one.
What is the SMILES notation for 6-(4-ethoxyphenyl)-3-[(3-fluorophenyl)methyl]pyrimidin-4-one?
The canonical SMILES for 6-(4-ethoxyphenyl)-3-[(3-fluorophenyl)methyl]pyrimidin-4-one is CCOc1ccc(-c2cc(=O)n(Cc3cccc(F)c3)cn2)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-3-[(3-fluorophenyl)methyl]pyrimidin-4-one?
The InChIKey is VDPRLZCKBGPHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-2-24-17-8-6-15(7-9-17)18-11-19(23)22(13-21-18)12-14-4-3-5-16(20)10-14/h3-11,13H,2,12H2,1H3.
What are the key properties of 6-(4-ethoxyphenyl)-3-[(3-fluorophenyl)methyl]pyrimidin-4-one?
6-(4-ethoxyphenyl)-3-[(3-fluorophenyl)methyl]pyrimidin-4-one has a molecular weight of 324.36 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-3-[(3-fluorophenyl)methyl]pyrimidin-4-one is sourced from PubChem (CID 30463195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).