(4R)-1-benzyl-3-[(4-methoxyphenyl)methyl]-4-phenyl-4H-pyrimidin-2-one

C25H24N2O2 — CID 134944587

IUPAC(4R)-1-benzyl-3-[(4-methoxyphenyl)methyl]-4-phenyl-4H-pyrimidin-2-one
SMILESCOc1ccc(CN2C(=O)N(Cc3ccccc3)C=C[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C25H24N2O2/c1-29-23-14-12-21(13-15-23)19-27-24(22-10-6-3-7-11-22)16-17-26(25(27)28)18-20-8-4-2-5-9-20/h2-17,24H,18-19H2,1H3/t24-/m1/s1
InChIKeyWTTDVSDZYDZCDL-XMMPIXPASA-N
MW384.48 g/mol
LogP5.39
Rot. Bonds6

About (4R)-1-benzyl-3-[(4-methoxyphenyl)methyl]-4-phenyl-4H-pyrimidin-2-one

(4R)-1-benzyl-3-[(4-methoxyphenyl)methyl]-4-phenyl-4H-pyrimidin-2-one (PubChem CID 134944587) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is (4R)-1-benzyl-3-[(4-methoxyphenyl)methyl]-4-phenyl-4H-pyrimidin-2-one.

Molecular Properties

Compound Name(4R)-1-benzyl-3-[(4-methoxyphenyl)methyl]-4-phenyl-4H-pyrimidin-2-one
PubChem CID134944587
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name(4R)-1-benzyl-3-[(4-methoxyphenyl)methyl]-4-phenyl-4H-pyrimidin-2-one
SMILESCOc1ccc(CN2C(=O)N(Cc3ccccc3)C=C[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C25H24N2O2/c1-29-23-14-12-21(13-15-23)19-27-24(22-10-6-3-7-11-22)16-17-26(25(27)28)18-20-8-4-2-5-9-20/h2-17,24H,18-19H2,1H3/t24-/m1/s1
InChIKeyWTTDVSDZYDZCDL-XMMPIXPASA-N
XLogP5.39
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(3R,4S)-3-ethenyl-1-[(4-methoxyphenyl)methyl]-4-phenylazetidin-2-one
CID 10266407
1-benzyl-3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenylimidazolidin-2-one
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1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione
CID 166447403
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CID 11842574
(5S,6S)-1-[(4-methoxyphenyl)methyl]-6-phenyl-5-phenylmethoxypiperidin-2-one
CID 102479873
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CID 67188968
3-benzyl-5-ethyl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
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1-[(4-methoxyphenyl)methyl]-5-oxo-4-phenylpyrrolidine-3-carbaldehyde
CID 138523430
(3R,3aS,7aS)-1-[(4-methoxyphenyl)methyl]-3-phenyl-3a,4,5,6,7,7a-hexahydro-3H-indol-2-one
CID 10664533
(2R)-4-hydroxy-3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-2-phenyl-2H-pyrrol-5-one
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Frequently Asked Questions

What is the IUPAC name of (4R)-1-benzyl-3-[(4-methoxyphenyl)methyl]-4-phenyl-4H-pyrimidin-2-one?
The IUPAC name of (4R)-1-benzyl-3-[(4-methoxyphenyl)methyl]-4-phenyl-4H-pyrimidin-2-one (CID 134944587) is (4R)-1-benzyl-3-[(4-methoxyphenyl)methyl]-4-phenyl-4H-pyrimidin-2-one.
What is the SMILES notation for (4R)-1-benzyl-3-[(4-methoxyphenyl)methyl]-4-phenyl-4H-pyrimidin-2-one?
The canonical SMILES for (4R)-1-benzyl-3-[(4-methoxyphenyl)methyl]-4-phenyl-4H-pyrimidin-2-one is COc1ccc(CN2C(=O)N(Cc3ccccc3)C=C[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (4R)-1-benzyl-3-[(4-methoxyphenyl)methyl]-4-phenyl-4H-pyrimidin-2-one?
The InChIKey is WTTDVSDZYDZCDL-XMMPIXPASA-N. The full InChI is InChI=1S/C25H24N2O2/c1-29-23-14-12-21(13-15-23)19-27-24(22-10-6-3-7-11-22)16-17-26(25(27)28)18-20-8-4-2-5-9-20/h2-17,24H,18-19H2,1H3/t24-/m1/s1.
What are the key properties of (4R)-1-benzyl-3-[(4-methoxyphenyl)methyl]-4-phenyl-4H-pyrimidin-2-one?
(4R)-1-benzyl-3-[(4-methoxyphenyl)methyl]-4-phenyl-4H-pyrimidin-2-one has a molecular weight of 384.48 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-benzyl-3-[(4-methoxyphenyl)methyl]-4-phenyl-4H-pyrimidin-2-one is sourced from PubChem (CID 134944587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).