3-[(3-fluorophenyl)methyl]-5-methyl-6-phenylmethoxypyrimidin-4-one

C19H17FN2O2 — CID 21090104

IUPAC3-[(3-fluorophenyl)methyl]-5-methyl-6-phenylmethoxypyrimidin-4-one
SMILESCc1c(OCc2ccccc2)ncn(Cc2cccc(F)c2)c1=O
InChIInChI=1S/C19H17FN2O2/c1-14-18(24-12-15-6-3-2-4-7-15)21-13-22(19(14)23)11-16-8-5-9-17(20)10-16/h2-10,13H,11-12H2,1H3
InChIKeyYNXCCFPZHHAIAP-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.32
Rot. Bonds5

About 3-[(3-fluorophenyl)methyl]-5-methyl-6-phenylmethoxypyrimidin-4-one

3-[(3-fluorophenyl)methyl]-5-methyl-6-phenylmethoxypyrimidin-4-one (PubChem CID 21090104) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-5-methyl-6-phenylmethoxypyrimidin-4-one.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-5-methyl-6-phenylmethoxypyrimidin-4-one
PubChem CID21090104
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name3-[(3-fluorophenyl)methyl]-5-methyl-6-phenylmethoxypyrimidin-4-one
SMILESCc1c(OCc2ccccc2)ncn(Cc2cccc(F)c2)c1=O
InChIInChI=1S/C19H17FN2O2/c1-14-18(24-12-15-6-3-2-4-7-15)21-13-22(19(14)23)11-16-8-5-9-17(20)10-16/h2-10,13H,11-12H2,1H3
InChIKeyYNXCCFPZHHAIAP-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
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]-5-methyl-6-phenylmethoxypyrimidin-4-one?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-5-methyl-6-phenylmethoxypyrimidin-4-one (CID 21090104) is 3-[(3-fluorophenyl)methyl]-5-methyl-6-phenylmethoxypyrimidin-4-one.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-5-methyl-6-phenylmethoxypyrimidin-4-one?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-5-methyl-6-phenylmethoxypyrimidin-4-one is Cc1c(OCc2ccccc2)ncn(Cc2cccc(F)c2)c1=O.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-5-methyl-6-phenylmethoxypyrimidin-4-one?
The InChIKey is YNXCCFPZHHAIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-14-18(24-12-15-6-3-2-4-7-15)21-13-22(19(14)23)11-16-8-5-9-17(20)10-16/h2-10,13H,11-12H2,1H3.
What are the key properties of 3-[(3-fluorophenyl)methyl]-5-methyl-6-phenylmethoxypyrimidin-4-one?
3-[(3-fluorophenyl)methyl]-5-methyl-6-phenylmethoxypyrimidin-4-one has a molecular weight of 324.36 g/mol, XLogP of 3.32, 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]-5-methyl-6-phenylmethoxypyrimidin-4-one is sourced from PubChem (CID 21090104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).