3-benzyl-2-(3-phenylpropyl)-6-pyridin-4-ylpyrimidin-4-one

C25H23N3O — CID 10110392

IUPAC3-benzyl-2-(3-phenylpropyl)-6-pyridin-4-ylpyrimidin-4-one
SMILESO=c1cc(-c2ccncc2)nc(CCCc2ccccc2)n1Cc1ccccc1
InChIInChI=1S/C25H23N3O/c29-25-18-23(22-14-16-26-17-15-22)27-24(13-7-12-20-8-3-1-4-9-20)28(25)19-21-10-5-2-6-11-21/h1-6,8-11,14-18H,7,12-13,19H2
InChIKeyUQAQRUNFFLFVDS-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.53
Rot. Bonds7

About 3-benzyl-2-(3-phenylpropyl)-6-pyridin-4-ylpyrimidin-4-one

3-benzyl-2-(3-phenylpropyl)-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 10110392) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-benzyl-2-(3-phenylpropyl)-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-benzyl-2-(3-phenylpropyl)-6-pyridin-4-ylpyrimidin-4-one
PubChem CID10110392
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC Name3-benzyl-2-(3-phenylpropyl)-6-pyridin-4-ylpyrimidin-4-one
SMILESO=c1cc(-c2ccncc2)nc(CCCc2ccccc2)n1Cc1ccccc1
InChIInChI=1S/C25H23N3O/c29-25-18-23(22-14-16-26-17-15-22)27-24(13-7-12-20-8-3-1-4-9-20)28(25)19-21-10-5-2-6-11-21/h1-6,8-11,14-18H,7,12-13,19H2
InChIKeyUQAQRUNFFLFVDS-UHFFFAOYSA-N
XLogP4.53
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(3-phenylpropyl)-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 3-benzyl-2-(3-phenylpropyl)-6-pyridin-4-ylpyrimidin-4-one (CID 10110392) is 3-benzyl-2-(3-phenylpropyl)-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 3-benzyl-2-(3-phenylpropyl)-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 3-benzyl-2-(3-phenylpropyl)-6-pyridin-4-ylpyrimidin-4-one is O=c1cc(-c2ccncc2)nc(CCCc2ccccc2)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-(3-phenylpropyl)-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is UQAQRUNFFLFVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O/c29-25-18-23(22-14-16-26-17-15-22)27-24(13-7-12-20-8-3-1-4-9-20)28(25)19-21-10-5-2-6-11-21/h1-6,8-11,14-18H,7,12-13,19H2.
What are the key properties of 3-benzyl-2-(3-phenylpropyl)-6-pyridin-4-ylpyrimidin-4-one?
3-benzyl-2-(3-phenylpropyl)-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 381.48 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(3-phenylpropyl)-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 10110392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).