6-[(3,5-difluorophenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione

C19H16F2N2O3 — CID 141308336

IUPAC6-[(3,5-difluorophenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
SMILESO=c1cc(Cc2cc(F)cc(F)c2)n(COCc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C19H16F2N2O3/c20-15-6-14(7-16(21)9-15)8-17-10-18(24)22-19(25)23(17)12-26-11-13-4-2-1-3-5-13/h1-7,9-10H,8,11-12H2,(H,22,24,25)
InChIKeyZZPKHEDBIXTWOU-UHFFFAOYSA-N
MW358.34 g/mol
LogP2.58
Rot. Bonds6

About 6-[(3,5-difluorophenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione

6-[(3,5-difluorophenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione (PubChem CID 141308336) has the molecular formula C19H16F2N2O3 and a molecular weight of 358.34 g/mol. Its IUPAC name is 6-[(3,5-difluorophenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(3,5-difluorophenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
PubChem CID141308336
Molecular FormulaC19H16F2N2O3
Molecular Weight358.34 g/mol
Exact Mass358.11
IUPAC Name6-[(3,5-difluorophenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
SMILESO=c1cc(Cc2cc(F)cc(F)c2)n(COCc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C19H16F2N2O3/c20-15-6-14(7-16(21)9-15)8-17-10-18(24)22-19(25)23(17)12-26-11-13-4-2-1-3-5-13/h1-7,9-10H,8,11-12H2,(H,22,24,25)
InChIKeyZZPKHEDBIXTWOU-UHFFFAOYSA-N
XLogP2.58
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-difluorophenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-[(3,5-difluorophenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione (CID 141308336) is 6-[(3,5-difluorophenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(3,5-difluorophenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-[(3,5-difluorophenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione is O=c1cc(Cc2cc(F)cc(F)c2)n(COCc2ccccc2)c(=O)[nH]1.
What is the InChIKey of 6-[(3,5-difluorophenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The InChIKey is ZZPKHEDBIXTWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O3/c20-15-6-14(7-16(21)9-15)8-17-10-18(24)22-19(25)23(17)12-26-11-13-4-2-1-3-5-13/h1-7,9-10H,8,11-12H2,(H,22,24,25).
What are the key properties of 6-[(3,5-difluorophenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
6-[(3,5-difluorophenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione has a molecular weight of 358.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-difluorophenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 141308336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).