1,6-bis(phenylmethoxymethyl)pyrimidine-2,4-dione

C20H20N2O4 — CID 127047088

IUPAC1,6-bis(phenylmethoxymethyl)pyrimidine-2,4-dione
SMILESO=c1cc(COCc2ccccc2)n(COCc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C20H20N2O4/c23-19-11-18(14-25-12-16-7-3-1-4-8-16)22(20(24)21-19)15-26-13-17-9-5-2-6-10-17/h1-11H,12-15H2,(H,21,23,24)
InChIKeyHJXWFBLCVGVZRW-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.43
Rot. Bonds8

About 1,6-bis(phenylmethoxymethyl)pyrimidine-2,4-dione

1,6-bis(phenylmethoxymethyl)pyrimidine-2,4-dione (PubChem CID 127047088) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1,6-bis(phenylmethoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,6-bis(phenylmethoxymethyl)pyrimidine-2,4-dione
PubChem CID127047088
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name1,6-bis(phenylmethoxymethyl)pyrimidine-2,4-dione
SMILESO=c1cc(COCc2ccccc2)n(COCc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C20H20N2O4/c23-19-11-18(14-25-12-16-7-3-1-4-8-16)22(20(24)21-19)15-26-13-17-9-5-2-6-10-17/h1-11H,12-15H2,(H,21,23,24)
InChIKeyHJXWFBLCVGVZRW-UHFFFAOYSA-N
XLogP2.43
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,6-bis(phenylmethoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 1,6-bis(phenylmethoxymethyl)pyrimidine-2,4-dione (CID 127047088) is 1,6-bis(phenylmethoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1,6-bis(phenylmethoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1,6-bis(phenylmethoxymethyl)pyrimidine-2,4-dione is O=c1cc(COCc2ccccc2)n(COCc2ccccc2)c(=O)[nH]1.
What is the InChIKey of 1,6-bis(phenylmethoxymethyl)pyrimidine-2,4-dione?
The InChIKey is HJXWFBLCVGVZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-19-11-18(14-25-12-16-7-3-1-4-8-16)22(20(24)21-19)15-26-13-17-9-5-2-6-10-17/h1-11H,12-15H2,(H,21,23,24).
What are the key properties of 1,6-bis(phenylmethoxymethyl)pyrimidine-2,4-dione?
1,6-bis(phenylmethoxymethyl)pyrimidine-2,4-dione has a molecular weight of 352.39 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(phenylmethoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 127047088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).