1,6-dibenzyl-5-ethyl-3-hydroxypyrimidine-2,4-dione

C20H20N2O3 — CID 52936423

IUPAC1,6-dibenzyl-5-ethyl-3-hydroxypyrimidine-2,4-dione
SMILESCCc1c(Cc2ccccc2)n(Cc2ccccc2)c(=O)n(O)c1=O
InChIInChI=1S/C20H20N2O3/c1-2-17-18(13-15-9-5-3-6-10-15)21(20(24)22(25)19(17)23)14-16-11-7-4-8-12-16/h3-12,25H,2,13-14H2,1H3
InChIKeyPPCGKQZLIDQRDM-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.45
Rot. Bonds5

About 1,6-dibenzyl-5-ethyl-3-hydroxypyrimidine-2,4-dione

1,6-dibenzyl-5-ethyl-3-hydroxypyrimidine-2,4-dione (PubChem CID 52936423) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1,6-dibenzyl-5-ethyl-3-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1,6-dibenzyl-5-ethyl-3-hydroxypyrimidine-2,4-dione
PubChem CID52936423
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name1,6-dibenzyl-5-ethyl-3-hydroxypyrimidine-2,4-dione
SMILESCCc1c(Cc2ccccc2)n(Cc2ccccc2)c(=O)n(O)c1=O
InChIInChI=1S/C20H20N2O3/c1-2-17-18(13-15-9-5-3-6-10-15)21(20(24)22(25)19(17)23)14-16-11-7-4-8-12-16/h3-12,25H,2,13-14H2,1H3
InChIKeyPPCGKQZLIDQRDM-UHFFFAOYSA-N
XLogP2.45
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1,6-dibenzyl-5-ethyl-3-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1,6-dibenzyl-5-ethyl-3-hydroxypyrimidine-2,4-dione (CID 52936423) is 1,6-dibenzyl-5-ethyl-3-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1,6-dibenzyl-5-ethyl-3-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1,6-dibenzyl-5-ethyl-3-hydroxypyrimidine-2,4-dione is CCc1c(Cc2ccccc2)n(Cc2ccccc2)c(=O)n(O)c1=O.
What is the InChIKey of 1,6-dibenzyl-5-ethyl-3-hydroxypyrimidine-2,4-dione?
The InChIKey is PPCGKQZLIDQRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-2-17-18(13-15-9-5-3-6-10-15)21(20(24)22(25)19(17)23)14-16-11-7-4-8-12-16/h3-12,25H,2,13-14H2,1H3.
What are the key properties of 1,6-dibenzyl-5-ethyl-3-hydroxypyrimidine-2,4-dione?
1,6-dibenzyl-5-ethyl-3-hydroxypyrimidine-2,4-dione has a molecular weight of 336.39 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dibenzyl-5-ethyl-3-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 52936423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).