1-[5-(fluoromethyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

C24H25FN2O5 — CID 123486478

IUPAC1-[5-(fluoromethyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1ccn(C2CC(OCc3ccccc3)C(CF)(COCc3ccccc3)O2)c(=O)[nH]1
InChIInChI=1S/C24H25FN2O5/c25-16-24(17-30-14-18-7-3-1-4-8-18)20(31-15-19-9-5-2-6-10-19)13-22(32-24)27-12-11-21(28)26-23(27)29/h1-12,20,22H,13-17H2,(H,26,28,29)
InChIKeyNSRHCMKKTLGZSD-UHFFFAOYSA-N
MW440.47 g/mol
LogP2.97
Rot. Bonds9

About 1-[5-(fluoromethyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

1-[5-(fluoromethyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 123486478) has the molecular formula C24H25FN2O5 and a molecular weight of 440.47 g/mol. Its IUPAC name is 1-[5-(fluoromethyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[5-(fluoromethyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID123486478
Molecular FormulaC24H25FN2O5
Molecular Weight440.47 g/mol
Exact Mass440.17
IUPAC Name1-[5-(fluoromethyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1ccn(C2CC(OCc3ccccc3)C(CF)(COCc3ccccc3)O2)c(=O)[nH]1
InChIInChI=1S/C24H25FN2O5/c25-16-24(17-30-14-18-7-3-1-4-8-18)20(31-15-19-9-5-2-6-10-19)13-22(32-24)27-12-11-21(28)26-23(27)29/h1-12,20,22H,13-17H2,(H,26,28,29)
InChIKeyNSRHCMKKTLGZSD-UHFFFAOYSA-N
XLogP2.97
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(fluoromethyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[5-(fluoromethyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (CID 123486478) is 1-[5-(fluoromethyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[5-(fluoromethyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[5-(fluoromethyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is O=c1ccn(C2CC(OCc3ccccc3)C(CF)(COCc3ccccc3)O2)c(=O)[nH]1.
What is the InChIKey of 1-[5-(fluoromethyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is NSRHCMKKTLGZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O5/c25-16-24(17-30-14-18-7-3-1-4-8-18)20(31-15-19-9-5-2-6-10-19)13-22(32-24)27-12-11-21(28)26-23(27)29/h1-12,20,22H,13-17H2,(H,26,28,29).
What are the key properties of 1-[5-(fluoromethyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
1-[5-(fluoromethyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 440.47 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(fluoromethyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 123486478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).