3-[(4-fluorophenyl)methyl]-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4-one

C20H19FN2O2 — CID 53191838

IUPAC3-[(4-fluorophenyl)methyl]-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4-one
SMILESCc1nc(-c2ccccc2)n(Cc2ccc(F)cc2)c(=O)c1CCO
InChIInChI=1S/C20H19FN2O2/c1-14-18(11-12-24)20(25)23(13-15-7-9-17(21)10-8-15)19(22-14)16-5-3-2-4-6-16/h2-10,24H,11-13H2,1H3
InChIKeyBGRLTRNCNHZVCU-UHFFFAOYSA-N
MW338.38 g/mol
LogP2.94
Rot. Bonds5

About 3-[(4-fluorophenyl)methyl]-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4-one

3-[(4-fluorophenyl)methyl]-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4-one (PubChem CID 53191838) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4-one
PubChem CID53191838
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name3-[(4-fluorophenyl)methyl]-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4-one
SMILESCc1nc(-c2ccccc2)n(Cc2ccc(F)cc2)c(=O)c1CCO
InChIInChI=1S/C20H19FN2O2/c1-14-18(11-12-24)20(25)23(13-15-7-9-17(21)10-8-15)19(22-14)16-5-3-2-4-6-16/h2-10,24H,11-13H2,1H3
InChIKeyBGRLTRNCNHZVCU-UHFFFAOYSA-N
XLogP2.94
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4-one?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4-one (CID 53191838) is 3-[(4-fluorophenyl)methyl]-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4-one?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4-one is Cc1nc(-c2ccccc2)n(Cc2ccc(F)cc2)c(=O)c1CCO.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4-one?
The InChIKey is BGRLTRNCNHZVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-14-18(11-12-24)20(25)23(13-15-7-9-17(21)10-8-15)19(22-14)16-5-3-2-4-6-16/h2-10,24H,11-13H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4-one?
3-[(4-fluorophenyl)methyl]-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4-one has a molecular weight of 338.38 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4-one is sourced from PubChem (CID 53191838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).