3-[(3-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one

C18H15FN2O2 — CID 21090107

IUPAC3-[(3-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one
SMILESO=c1cc(OCc2ccccc2)ncn1Cc1cccc(F)c1
InChIInChI=1S/C18H15FN2O2/c19-16-8-4-7-15(9-16)11-21-13-20-17(10-18(21)22)23-12-14-5-2-1-3-6-14/h1-10,13H,11-12H2
InChIKeyXTPKZYHNRAWOTB-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.01
Rot. Bonds5

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

3-[(3-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one (PubChem CID 21090107) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one
PubChem CID21090107
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name3-[(3-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one
SMILESO=c1cc(OCc2ccccc2)ncn1Cc1cccc(F)c1
InChIInChI=1S/C18H15FN2O2/c19-16-8-4-7-15(9-16)11-21-13-20-17(10-18(21)22)23-12-14-5-2-1-3-6-14/h1-10,13H,11-12H2
InChIKeyXTPKZYHNRAWOTB-UHFFFAOYSA-N
XLogP3.01
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one (CID 21090107) is 3-[(3-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one is O=c1cc(OCc2ccccc2)ncn1Cc1cccc(F)c1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one?
The InChIKey is XTPKZYHNRAWOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c19-16-8-4-7-15(9-16)11-21-13-20-17(10-18(21)22)23-12-14-5-2-1-3-6-14/h1-10,13H,11-12H2.
What are the key properties of 3-[(3-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one?
3-[(3-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one has a molecular weight of 310.33 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one is sourced from PubChem (CID 21090107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).