6-benzyl-5-ethyl-1,3-bis(phenylmethoxymethyl)pyrimidine-2,4-dione

C29H30N2O4 — CID 142656493

IUPAC6-benzyl-5-ethyl-1,3-bis(phenylmethoxymethyl)pyrimidine-2,4-dione
SMILESCCc1c(Cc2ccccc2)n(COCc2ccccc2)c(=O)n(COCc2ccccc2)c1=O
InChIInChI=1S/C29H30N2O4/c1-2-26-27(18-23-12-6-3-7-13-23)30(21-34-19-24-14-8-4-9-15-24)29(33)31(28(26)32)22-35-20-25-16-10-5-11-17-25/h3-17H,2,18-22H2,1H3
InChIKeyUBZLCSJBJVPTMA-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.51
Rot. Bonds11

About 6-benzyl-5-ethyl-1,3-bis(phenylmethoxymethyl)pyrimidine-2,4-dione

6-benzyl-5-ethyl-1,3-bis(phenylmethoxymethyl)pyrimidine-2,4-dione (PubChem CID 142656493) has the molecular formula C29H30N2O4 and a molecular weight of 470.57 g/mol. Its IUPAC name is 6-benzyl-5-ethyl-1,3-bis(phenylmethoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-benzyl-5-ethyl-1,3-bis(phenylmethoxymethyl)pyrimidine-2,4-dione
PubChem CID142656493
Molecular FormulaC29H30N2O4
Molecular Weight470.57 g/mol
Exact Mass470.22
IUPAC Name6-benzyl-5-ethyl-1,3-bis(phenylmethoxymethyl)pyrimidine-2,4-dione
SMILESCCc1c(Cc2ccccc2)n(COCc2ccccc2)c(=O)n(COCc2ccccc2)c1=O
InChIInChI=1S/C29H30N2O4/c1-2-26-27(18-23-12-6-3-7-13-23)30(21-34-19-24-14-8-4-9-15-24)29(33)31(28(26)32)22-35-20-25-16-10-5-11-17-25/h3-17H,2,18-22H2,1H3
InChIKeyUBZLCSJBJVPTMA-UHFFFAOYSA-N
XLogP4.51
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.51
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-dipentylpyrimidine-2,4-dione
CID 142656479
1-[(4-acetylphenyl)methoxymethyl]-6-benzyl-5-ethylpyrimidine-2,4-dione
CID 16747813
6-benzyl-3-phenacyl-1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 10600839
1,6-dibenzyl-5-ethyl-3-hydroxypyrimidine-2,4-dione
CID 52936423
5,6-dibenzyl-1,3-dihexylpyrimidine-2,4-dione
CID 142656477
6-benzyl-1-(cyclopropylmethoxymethyl)-5-ethylpyrimidine-2,4-dione
CID 44597568
3-(phenylmethoxymethyl)-1-propylpyrimidine-2,4-dione
CID 102940695
3-(phenylmethoxymethyl)-1H-quinazoline-2,4-dione
CID 139951410
5-ethyl-1-[(4-fluorophenyl)methoxymethyl]-3-hydroxy-6-phenoxypyrimidine-2,4-dione
CID 67121540
6-benzyl-5-ethyl-1-pentylpyrimidine-2,4-dione
CID 142656446
6-bromo-4-(phenylmethoxymethyl)-2-(1-phenylpropan-2-yl)-1,2,4-triazine-3,5-dione
CID 90036621

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-5-ethyl-1,3-bis(phenylmethoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-benzyl-5-ethyl-1,3-bis(phenylmethoxymethyl)pyrimidine-2,4-dione (CID 142656493) is 6-benzyl-5-ethyl-1,3-bis(phenylmethoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-benzyl-5-ethyl-1,3-bis(phenylmethoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-benzyl-5-ethyl-1,3-bis(phenylmethoxymethyl)pyrimidine-2,4-dione is CCc1c(Cc2ccccc2)n(COCc2ccccc2)c(=O)n(COCc2ccccc2)c1=O.
What is the InChIKey of 6-benzyl-5-ethyl-1,3-bis(phenylmethoxymethyl)pyrimidine-2,4-dione?
The InChIKey is UBZLCSJBJVPTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O4/c1-2-26-27(18-23-12-6-3-7-13-23)30(21-34-19-24-14-8-4-9-15-24)29(33)31(28(26)32)22-35-20-25-16-10-5-11-17-25/h3-17H,2,18-22H2,1H3.
What are the key properties of 6-benzyl-5-ethyl-1,3-bis(phenylmethoxymethyl)pyrimidine-2,4-dione?
6-benzyl-5-ethyl-1,3-bis(phenylmethoxymethyl)pyrimidine-2,4-dione has a molecular weight of 470.57 g/mol, XLogP of 4.51, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-5-ethyl-1,3-bis(phenylmethoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 142656493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).