1-[(2,5-difluorophenyl)methyl]-6-(3,5-dimethylphenoxy)-5-ethylpyrimidine-2,4-dione

C21H20F2N2O3 — CID 15957749

IUPAC1-[(2,5-difluorophenyl)methyl]-6-(3,5-dimethylphenoxy)-5-ethylpyrimidine-2,4-dione
SMILESCCc1c(Oc2cc(C)cc(C)c2)n(Cc2cc(F)ccc2F)c(=O)[nH]c1=O
InChIInChI=1S/C21H20F2N2O3/c1-4-17-19(26)24-21(27)25(11-14-10-15(22)5-6-18(14)23)20(17)28-16-8-12(2)7-13(3)9-16/h5-10H,4,11H2,1-3H3,(H,24,26,27)
InChIKeyYJKWNLFGYNYYQP-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.83
Rot. Bonds5

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

1-[(2,5-difluorophenyl)methyl]-6-(3,5-dimethylphenoxy)-5-ethylpyrimidine-2,4-dione (PubChem CID 15957749) has the molecular formula C21H20F2N2O3 and a molecular weight of 386.40 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methyl]-6-(3,5-dimethylphenoxy)-5-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methyl]-6-(3,5-dimethylphenoxy)-5-ethylpyrimidine-2,4-dione
PubChem CID15957749
Molecular FormulaC21H20F2N2O3
Molecular Weight386.40 g/mol
Exact Mass386.14
IUPAC Name1-[(2,5-difluorophenyl)methyl]-6-(3,5-dimethylphenoxy)-5-ethylpyrimidine-2,4-dione
SMILESCCc1c(Oc2cc(C)cc(C)c2)n(Cc2cc(F)ccc2F)c(=O)[nH]c1=O
InChIInChI=1S/C21H20F2N2O3/c1-4-17-19(26)24-21(27)25(11-14-10-15(22)5-6-18(14)23)20(17)28-16-8-12(2)7-13(3)9-16/h5-10H,4,11H2,1-3H3,(H,24,26,27)
InChIKeyYJKWNLFGYNYYQP-UHFFFAOYSA-N
XLogP3.83
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methyl]-6-(3,5-dimethylphenoxy)-5-ethylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2,5-difluorophenyl)methyl]-6-(3,5-dimethylphenoxy)-5-ethylpyrimidine-2,4-dione (CID 15957749) is 1-[(2,5-difluorophenyl)methyl]-6-(3,5-dimethylphenoxy)-5-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methyl]-6-(3,5-dimethylphenoxy)-5-ethylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2,5-difluorophenyl)methyl]-6-(3,5-dimethylphenoxy)-5-ethylpyrimidine-2,4-dione is CCc1c(Oc2cc(C)cc(C)c2)n(Cc2cc(F)ccc2F)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2,5-difluorophenyl)methyl]-6-(3,5-dimethylphenoxy)-5-ethylpyrimidine-2,4-dione?
The InChIKey is YJKWNLFGYNYYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O3/c1-4-17-19(26)24-21(27)25(11-14-10-15(22)5-6-18(14)23)20(17)28-16-8-12(2)7-13(3)9-16/h5-10H,4,11H2,1-3H3,(H,24,26,27).
What are the key properties of 1-[(2,5-difluorophenyl)methyl]-6-(3,5-dimethylphenoxy)-5-ethylpyrimidine-2,4-dione?
1-[(2,5-difluorophenyl)methyl]-6-(3,5-dimethylphenoxy)-5-ethylpyrimidine-2,4-dione has a molecular weight of 386.40 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenyl)methyl]-6-(3,5-dimethylphenoxy)-5-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 15957749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).