1-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-5-fluoropyrimidine-2,4-dione

C22H23FN2O5 — CID 13424675

IUPAC1-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-5-fluoropyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(COC(COCc2ccccc2)COCc2ccccc2)cc1F
InChIInChI=1S/C22H23FN2O5/c23-20-11-25(22(27)24-21(20)26)16-30-19(14-28-12-17-7-3-1-4-8-17)15-29-13-18-9-5-2-6-10-18/h1-11,19H,12-16H2,(H,24,26,27)
InChIKeyQJQLZEFUUBBJLQ-UHFFFAOYSA-N
MW414.43 g/mol
LogP2.45
Rot. Bonds11

About 1-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-5-fluoropyrimidine-2,4-dione

1-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-5-fluoropyrimidine-2,4-dione (PubChem CID 13424675) has the molecular formula C22H23FN2O5 and a molecular weight of 414.43 g/mol. Its IUPAC name is 1-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-5-fluoropyrimidine-2,4-dione
PubChem CID13424675
Molecular FormulaC22H23FN2O5
Molecular Weight414.43 g/mol
Exact Mass414.16
IUPAC Name1-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-5-fluoropyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(COC(COCc2ccccc2)COCc2ccccc2)cc1F
InChIInChI=1S/C22H23FN2O5/c23-20-11-25(22(27)24-21(20)26)16-30-19(14-28-12-17-7-3-1-4-8-17)15-29-13-18-9-5-2-6-10-18/h1-11,19H,12-16H2,(H,24,26,27)
InChIKeyQJQLZEFUUBBJLQ-UHFFFAOYSA-N
XLogP2.45
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-5-fluoropyrimidine-2,4-dione (CID 13424675) is 1-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-5-fluoropyrimidine-2,4-dione is O=c1[nH]c(=O)n(COC(COCc2ccccc2)COCc2ccccc2)cc1F.
What is the InChIKey of 1-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is QJQLZEFUUBBJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O5/c23-20-11-25(22(27)24-21(20)26)16-30-19(14-28-12-17-7-3-1-4-8-17)15-29-13-18-9-5-2-6-10-18/h1-11,19H,12-16H2,(H,24,26,27).
What are the key properties of 1-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-5-fluoropyrimidine-2,4-dione?
1-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 414.43 g/mol, XLogP of 2.45, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 13424675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).