6-[(3,5-dimethylphenyl)methyl]-1-(3-phenylprop-2-enyl)-5-propan-2-ylpyrimidine-2,4-dione

C25H28N2O2 — CID 54541334

IUPAC6-[(3,5-dimethylphenyl)methyl]-1-(3-phenylprop-2-enyl)-5-propan-2-ylpyrimidine-2,4-dione
SMILESCc1cc(C)cc(Cc2c(C(C)C)c(=O)[nH]c(=O)n2CC=Cc2ccccc2)c1
InChIInChI=1S/C25H28N2O2/c1-17(2)23-22(16-21-14-18(3)13-19(4)15-21)27(25(29)26-24(23)28)12-8-11-20-9-6-5-7-10-20/h5-11,13-15,17H,12,16H2,1-4H3,(H,26,28,29)
InChIKeyZDJXOYMKXHPDOP-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.58
Rot. Bonds6

About 6-[(3,5-dimethylphenyl)methyl]-1-(3-phenylprop-2-enyl)-5-propan-2-ylpyrimidine-2,4-dione

6-[(3,5-dimethylphenyl)methyl]-1-(3-phenylprop-2-enyl)-5-propan-2-ylpyrimidine-2,4-dione (PubChem CID 54541334) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 6-[(3,5-dimethylphenyl)methyl]-1-(3-phenylprop-2-enyl)-5-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(3,5-dimethylphenyl)methyl]-1-(3-phenylprop-2-enyl)-5-propan-2-ylpyrimidine-2,4-dione
PubChem CID54541334
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name6-[(3,5-dimethylphenyl)methyl]-1-(3-phenylprop-2-enyl)-5-propan-2-ylpyrimidine-2,4-dione
SMILESCc1cc(C)cc(Cc2c(C(C)C)c(=O)[nH]c(=O)n2CC=Cc2ccccc2)c1
InChIInChI=1S/C25H28N2O2/c1-17(2)23-22(16-21-14-18(3)13-19(4)15-21)27(25(29)26-24(23)28)12-8-11-20-9-6-5-7-10-20/h5-11,13-15,17H,12,16H2,1-4H3,(H,26,28,29)
InChIKeyZDJXOYMKXHPDOP-UHFFFAOYSA-N
XLogP4.58
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-dimethylphenyl)methyl]-1-(3-phenylprop-2-enyl)-5-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 6-[(3,5-dimethylphenyl)methyl]-1-(3-phenylprop-2-enyl)-5-propan-2-ylpyrimidine-2,4-dione (CID 54541334) is 6-[(3,5-dimethylphenyl)methyl]-1-(3-phenylprop-2-enyl)-5-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[(3,5-dimethylphenyl)methyl]-1-(3-phenylprop-2-enyl)-5-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 6-[(3,5-dimethylphenyl)methyl]-1-(3-phenylprop-2-enyl)-5-propan-2-ylpyrimidine-2,4-dione is Cc1cc(C)cc(Cc2c(C(C)C)c(=O)[nH]c(=O)n2CC=Cc2ccccc2)c1.
What is the InChIKey of 6-[(3,5-dimethylphenyl)methyl]-1-(3-phenylprop-2-enyl)-5-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is ZDJXOYMKXHPDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-17(2)23-22(16-21-14-18(3)13-19(4)15-21)27(25(29)26-24(23)28)12-8-11-20-9-6-5-7-10-20/h5-11,13-15,17H,12,16H2,1-4H3,(H,26,28,29).
What are the key properties of 6-[(3,5-dimethylphenyl)methyl]-1-(3-phenylprop-2-enyl)-5-propan-2-ylpyrimidine-2,4-dione?
6-[(3,5-dimethylphenyl)methyl]-1-(3-phenylprop-2-enyl)-5-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 388.51 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-dimethylphenyl)methyl]-1-(3-phenylprop-2-enyl)-5-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 54541334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).