6-benzyl-3-phenacyl-1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione

C30H30N2O4 — CID 10600839

IUPAC6-benzyl-3-phenacyl-1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
SMILESCC(C)c1c(Cc2ccccc2)n(COCc2ccccc2)c(=O)n(CC(=O)c2ccccc2)c1=O
InChIInChI=1S/C30H30N2O4/c1-22(2)28-26(18-23-12-6-3-7-13-23)32(21-36-20-24-14-8-4-9-15-24)30(35)31(29(28)34)19-27(33)25-16-10-5-11-17-25/h3-17,22H,18-21H2,1-2H3
InChIKeyJUFAWSLGJHMUJY-UHFFFAOYSA-N
MW482.58 g/mol
LogP4.78
Rot. Bonds10

About 6-benzyl-3-phenacyl-1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione

6-benzyl-3-phenacyl-1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione (PubChem CID 10600839) has the molecular formula C30H30N2O4 and a molecular weight of 482.58 g/mol. Its IUPAC name is 6-benzyl-3-phenacyl-1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-benzyl-3-phenacyl-1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
PubChem CID10600839
Molecular FormulaC30H30N2O4
Molecular Weight482.58 g/mol
Exact Mass482.22
IUPAC Name6-benzyl-3-phenacyl-1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
SMILESCC(C)c1c(Cc2ccccc2)n(COCc2ccccc2)c(=O)n(CC(=O)c2ccccc2)c1=O
InChIInChI=1S/C30H30N2O4/c1-22(2)28-26(18-23-12-6-3-7-13-23)32(21-36-20-24-14-8-4-9-15-24)30(35)31(29(28)34)19-27(33)25-16-10-5-11-17-25/h3-17,22H,18-21H2,1-2H3
InChIKeyJUFAWSLGJHMUJY-UHFFFAOYSA-N
XLogP4.78
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-benzyl-1-(ethoxymethyl)-5-ethyl-3-phenacylpyrimidine-2,4-dione
CID 10363973
6-benzyl-5-ethyl-1,3-bis(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 142656493
6-benzyl-3-hexyl-1-(methoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 142656467
6-benzyl-1,3-dihexyl-5-propan-2-ylpyrimidine-2,4-dione
CID 142656419
6-benzyl-1-[[(E)-4-hydroxybut-2-enoxy]methyl]-5-propan-2-ylpyrimidine-2,4-dione
CID 24884730
(Z)-4-[3-[[4-[[6-[(3,5-dimethylphenyl)methyl]-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl]methoxymethyl]phenyl]methyl]phenyl]-4-hydroxy-2-oxobut-3-enoic acid
CID 46906299
1-[(4-acetylphenyl)methoxymethyl]-6-benzyl-5-ethylpyrimidine-2,4-dione
CID 16747813
[(Z)-4-[(6-benzyl-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)methoxy]but-2-enyl] 4-methylbenzoate
CID 11698348
6-bromo-4-(phenylmethoxymethyl)-2-(1-phenylpropan-2-yl)-1,2,4-triazine-3,5-dione
CID 90036621
ethyl 2-[5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]acetate
CID 18415006
(2R)-2-methyl-1-phenyl-3-phenylmethoxypropan-1-one
CID 12630921
1-(phenylmethoxymethyl)-3-propan-2-ylimidazol-2-one
CID 102940740

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3-phenacyl-1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 6-benzyl-3-phenacyl-1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione (CID 10600839) is 6-benzyl-3-phenacyl-1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 6-benzyl-3-phenacyl-1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 6-benzyl-3-phenacyl-1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione is CC(C)c1c(Cc2ccccc2)n(COCc2ccccc2)c(=O)n(CC(=O)c2ccccc2)c1=O.
What is the InChIKey of 6-benzyl-3-phenacyl-1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is JUFAWSLGJHMUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O4/c1-22(2)28-26(18-23-12-6-3-7-13-23)32(21-36-20-24-14-8-4-9-15-24)30(35)31(29(28)34)19-27(33)25-16-10-5-11-17-25/h3-17,22H,18-21H2,1-2H3.
What are the key properties of 6-benzyl-3-phenacyl-1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione?
6-benzyl-3-phenacyl-1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 482.58 g/mol, XLogP of 4.78, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3-phenacyl-1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 10600839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).