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

C21H22N2O3 — CID 52937853

IUPAC5-benzyl-6-ethyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
SMILESCCc1c(Cc2ccccc2)c(=O)[nH]c(=O)n1COCc1ccccc1
InChIInChI=1S/C21H22N2O3/c1-2-19-18(13-16-9-5-3-6-10-16)20(24)22-21(25)23(19)15-26-14-17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3,(H,22,24,25)
InChIKeyRRVTZNDWIIXVHH-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.86
Rot. Bonds7

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

5-benzyl-6-ethyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione (PubChem CID 52937853) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5-benzyl-6-ethyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-benzyl-6-ethyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
PubChem CID52937853
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name5-benzyl-6-ethyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
SMILESCCc1c(Cc2ccccc2)c(=O)[nH]c(=O)n1COCc1ccccc1
InChIInChI=1S/C21H22N2O3/c1-2-19-18(13-16-9-5-3-6-10-16)20(24)22-21(25)23(19)15-26-14-17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3,(H,22,24,25)
InChIKeyRRVTZNDWIIXVHH-UHFFFAOYSA-N
XLogP2.86
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-6-ethyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-benzyl-6-ethyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione (CID 52937853) is 5-benzyl-6-ethyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-benzyl-6-ethyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-benzyl-6-ethyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione is CCc1c(Cc2ccccc2)c(=O)[nH]c(=O)n1COCc1ccccc1.
What is the InChIKey of 5-benzyl-6-ethyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The InChIKey is RRVTZNDWIIXVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-2-19-18(13-16-9-5-3-6-10-16)20(24)22-21(25)23(19)15-26-14-17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3,(H,22,24,25).
What are the key properties of 5-benzyl-6-ethyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
5-benzyl-6-ethyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione has a molecular weight of 350.42 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-6-ethyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 52937853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).