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

C21H22N2O4 — CID 52936323

IUPAC6-benzyl-5-ethyl-3-hydroxy-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
SMILESCCc1c(Cc2ccccc2)n(COCc2ccccc2)c(=O)n(O)c1=O
InChIInChI=1S/C21H22N2O4/c1-2-18-19(13-16-9-5-3-6-10-16)22(21(25)23(26)20(18)24)15-27-14-17-11-7-4-8-12-17/h3-12,26H,2,13-15H2,1H3
InChIKeyBHHGVNCCEIINKB-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.57
Rot. Bonds7

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

6-benzyl-5-ethyl-3-hydroxy-1-(phenylmethoxymethyl)pyrimidine-2,4-dione (PubChem CID 52936323) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 6-benzyl-5-ethyl-3-hydroxy-1-(phenylmethoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-benzyl-5-ethyl-3-hydroxy-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
PubChem CID52936323
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name6-benzyl-5-ethyl-3-hydroxy-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
SMILESCCc1c(Cc2ccccc2)n(COCc2ccccc2)c(=O)n(O)c1=O
InChIInChI=1S/C21H22N2O4/c1-2-18-19(13-16-9-5-3-6-10-16)22(21(25)23(26)20(18)24)15-27-14-17-11-7-4-8-12-17/h3-12,26H,2,13-15H2,1H3
InChIKeyBHHGVNCCEIINKB-UHFFFAOYSA-N
XLogP2.57
TPSA73.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-5-ethyl-3-hydroxy-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-benzyl-5-ethyl-3-hydroxy-1-(phenylmethoxymethyl)pyrimidine-2,4-dione (CID 52936323) is 6-benzyl-5-ethyl-3-hydroxy-1-(phenylmethoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-benzyl-5-ethyl-3-hydroxy-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-benzyl-5-ethyl-3-hydroxy-1-(phenylmethoxymethyl)pyrimidine-2,4-dione is CCc1c(Cc2ccccc2)n(COCc2ccccc2)c(=O)n(O)c1=O.
What is the InChIKey of 6-benzyl-5-ethyl-3-hydroxy-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The InChIKey is BHHGVNCCEIINKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-2-18-19(13-16-9-5-3-6-10-16)22(21(25)23(26)20(18)24)15-27-14-17-11-7-4-8-12-17/h3-12,26H,2,13-15H2,1H3.
What are the key properties of 6-benzyl-5-ethyl-3-hydroxy-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
6-benzyl-5-ethyl-3-hydroxy-1-(phenylmethoxymethyl)pyrimidine-2,4-dione has a molecular weight of 366.42 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-5-ethyl-3-hydroxy-1-(phenylmethoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 52936323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).