6-[(3,5-dimethylphenyl)methyl]-1-[[(E)-3-phenylprop-2-enoxy]methyl]-5-propylpyrimidine-2,4-dione

C26H30N2O3 — CID 6480198

IUPAC6-[(3,5-dimethylphenyl)methyl]-1-[[(E)-3-phenylprop-2-enoxy]methyl]-5-propylpyrimidine-2,4-dione
SMILESCCCc1c(Cc2cc(C)cc(C)c2)n(COC/C=C/c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C26H30N2O3/c1-4-9-23-24(17-22-15-19(2)14-20(3)16-22)28(26(30)27-25(23)29)18-31-13-8-12-21-10-6-5-7-11-21/h5-8,10-12,14-16H,4,9,13,17-18H2,1-3H3,(H,27,29,30)/b12-8+
InChIKeyMAPMMMYKLZSWAD-XYOKQWHBSA-N
MW418.54 g/mol
LogP4.38
Rot. Bonds9

About 6-[(3,5-dimethylphenyl)methyl]-1-[[(E)-3-phenylprop-2-enoxy]methyl]-5-propylpyrimidine-2,4-dione

6-[(3,5-dimethylphenyl)methyl]-1-[[(E)-3-phenylprop-2-enoxy]methyl]-5-propylpyrimidine-2,4-dione (PubChem CID 6480198) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is 6-[(3,5-dimethylphenyl)methyl]-1-[[(E)-3-phenylprop-2-enoxy]methyl]-5-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(3,5-dimethylphenyl)methyl]-1-[[(E)-3-phenylprop-2-enoxy]methyl]-5-propylpyrimidine-2,4-dione
PubChem CID6480198
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC Name6-[(3,5-dimethylphenyl)methyl]-1-[[(E)-3-phenylprop-2-enoxy]methyl]-5-propylpyrimidine-2,4-dione
SMILESCCCc1c(Cc2cc(C)cc(C)c2)n(COC/C=C/c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C26H30N2O3/c1-4-9-23-24(17-22-15-19(2)14-20(3)16-22)28(26(30)27-25(23)29)18-31-13-8-12-21-10-6-5-7-11-21/h5-8,10-12,14-16H,4,9,13,17-18H2,1-3H3,(H,27,29,30)/b12-8+
InChIKeyMAPMMMYKLZSWAD-XYOKQWHBSA-N
XLogP4.38
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[(3,5-dimethylphenyl)methyl]-1-[[(E)-3-phenylprop-2-enoxy]methyl]-5-propylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-[[(E)-3-phenylprop-2-enoxy]methyl]pyrimidine-2,4-dione
CID 6480197
6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-(prop-2-enoxymethyl)pyrimidine-2,4-dione
CID 501417
5-bromo-6-[(3,5-dimethylphenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 56964462
6-[(3,5-dimethylphenyl)methyl]-1-(3-phenylprop-2-enyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 54541334
5-(dimethylamino)-6-[(3,5-dimethylphenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 56964463
1-[(4-acetylphenyl)methoxymethyl]-6-benzyl-5-ethylpyrimidine-2,4-dione
CID 16747813
5-benzyl-3-(ethoxymethyl)-4-propyl-1H-imidazol-2-one
CID 10967713
6-[(3,5-dichlorophenyl)methyl]-5-ethyl-1-[[(E)-2-methyl-3-phenylprop-2-enoxy]methyl]pyrimidine-2,4-dione
CID 5279588
6-benzyl-1-(cyclopropylmethoxymethyl)-5-ethylpyrimidine-2,4-dione
CID 44597568
6-benzyl-1-[[(E)-4-hydroxybut-2-enoxy]methyl]-5-propan-2-ylpyrimidine-2,4-dione
CID 24884730
[(Z)-4-[(6-benzyl-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)methoxy]but-2-enyl] 4-methylbenzoate
CID 11698348
6-benzyl-5-ethyl-1-pentylpyrimidine-2,4-dione
CID 142656446

Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-dimethylphenyl)methyl]-1-[[(E)-3-phenylprop-2-enoxy]methyl]-5-propylpyrimidine-2,4-dione?
The IUPAC name of 6-[(3,5-dimethylphenyl)methyl]-1-[[(E)-3-phenylprop-2-enoxy]methyl]-5-propylpyrimidine-2,4-dione (CID 6480198) is 6-[(3,5-dimethylphenyl)methyl]-1-[[(E)-3-phenylprop-2-enoxy]methyl]-5-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[(3,5-dimethylphenyl)methyl]-1-[[(E)-3-phenylprop-2-enoxy]methyl]-5-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-[(3,5-dimethylphenyl)methyl]-1-[[(E)-3-phenylprop-2-enoxy]methyl]-5-propylpyrimidine-2,4-dione is CCCc1c(Cc2cc(C)cc(C)c2)n(COC/C=C/c2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-[(3,5-dimethylphenyl)methyl]-1-[[(E)-3-phenylprop-2-enoxy]methyl]-5-propylpyrimidine-2,4-dione?
The InChIKey is MAPMMMYKLZSWAD-XYOKQWHBSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-4-9-23-24(17-22-15-19(2)14-20(3)16-22)28(26(30)27-25(23)29)18-31-13-8-12-21-10-6-5-7-11-21/h5-8,10-12,14-16H,4,9,13,17-18H2,1-3H3,(H,27,29,30)/b12-8+.
What are the key properties of 6-[(3,5-dimethylphenyl)methyl]-1-[[(E)-3-phenylprop-2-enoxy]methyl]-5-propylpyrimidine-2,4-dione?
6-[(3,5-dimethylphenyl)methyl]-1-[[(E)-3-phenylprop-2-enoxy]methyl]-5-propylpyrimidine-2,4-dione has a molecular weight of 418.54 g/mol, XLogP of 4.38, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-dimethylphenyl)methyl]-1-[[(E)-3-phenylprop-2-enoxy]methyl]-5-propylpyrimidine-2,4-dione is sourced from PubChem (CID 6480198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).