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

C24H18F2N2O3 — CID 11654675

IUPAC1-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione
SMILESCc1c(Cc2cccc3ccccc23)n(CC(=O)c2ccc(F)c(F)c2)c(=O)[nH]c1=O
InChIInChI=1S/C24H18F2N2O3/c1-14-21(12-16-7-4-6-15-5-2-3-8-18(15)16)28(24(31)27-23(14)30)13-22(29)17-9-10-19(25)20(26)11-17/h2-11H,12-13H2,1H3,(H,27,30,31)
InChIKeyIJLNBBKPFHFBIZ-UHFFFAOYSA-N
MW420.42 g/mol
LogP3.75
Rot. Bonds5

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

1-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione (PubChem CID 11654675) has the molecular formula C24H18F2N2O3 and a molecular weight of 420.42 g/mol. Its IUPAC name is 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione
PubChem CID11654675
Molecular FormulaC24H18F2N2O3
Molecular Weight420.42 g/mol
Exact Mass420.13
IUPAC Name1-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione
SMILESCc1c(Cc2cccc3ccccc23)n(CC(=O)c2ccc(F)c(F)c2)c(=O)[nH]c1=O
InChIInChI=1S/C24H18F2N2O3/c1-14-21(12-16-7-4-6-15-5-2-3-8-18(15)16)28(24(31)27-23(14)30)13-22(29)17-9-10-19(25)20(26)11-17/h2-11H,12-13H2,1H3,(H,27,30,31)
InChIKeyIJLNBBKPFHFBIZ-UHFFFAOYSA-N
XLogP3.75
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione (CID 11654675) is 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione is Cc1c(Cc2cccc3ccccc23)n(CC(=O)c2ccc(F)c(F)c2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is IJLNBBKPFHFBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N2O3/c1-14-21(12-16-7-4-6-15-5-2-3-8-18(15)16)28(24(31)27-23(14)30)13-22(29)17-9-10-19(25)20(26)11-17/h2-11H,12-13H2,1H3,(H,27,30,31).
What are the key properties of 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione?
1-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 420.42 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 11654675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).