5-benzyl-6-phenylmethoxy-1H-pyrimidine-2,4-dione

C18H16N2O3 — CID 152628244

IUPAC5-benzyl-6-phenylmethoxy-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(OCc2ccccc2)c(Cc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C18H16N2O3/c21-16-15(11-13-7-3-1-4-8-13)17(20-18(22)19-16)23-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,19,20,21,22)
InChIKeyZCYWEZYLYFWMSI-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.23
Rot. Bonds5

About 5-benzyl-6-phenylmethoxy-1H-pyrimidine-2,4-dione

5-benzyl-6-phenylmethoxy-1H-pyrimidine-2,4-dione (PubChem CID 152628244) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 5-benzyl-6-phenylmethoxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-benzyl-6-phenylmethoxy-1H-pyrimidine-2,4-dione
PubChem CID152628244
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name5-benzyl-6-phenylmethoxy-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(OCc2ccccc2)c(Cc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C18H16N2O3/c21-16-15(11-13-7-3-1-4-8-13)17(20-18(22)19-16)23-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,19,20,21,22)
InChIKeyZCYWEZYLYFWMSI-UHFFFAOYSA-N
XLogP2.23
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-6-phenylmethoxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-benzyl-6-phenylmethoxy-1H-pyrimidine-2,4-dione (CID 152628244) is 5-benzyl-6-phenylmethoxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-benzyl-6-phenylmethoxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-benzyl-6-phenylmethoxy-1H-pyrimidine-2,4-dione is O=c1[nH]c(OCc2ccccc2)c(Cc2ccccc2)c(=O)[nH]1.
What is the InChIKey of 5-benzyl-6-phenylmethoxy-1H-pyrimidine-2,4-dione?
The InChIKey is ZCYWEZYLYFWMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c21-16-15(11-13-7-3-1-4-8-13)17(20-18(22)19-16)23-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,19,20,21,22).
What are the key properties of 5-benzyl-6-phenylmethoxy-1H-pyrimidine-2,4-dione?
5-benzyl-6-phenylmethoxy-1H-pyrimidine-2,4-dione has a molecular weight of 308.34 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-6-phenylmethoxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 152628244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).