2-(3,5-difluorophenyl)-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylic acid

C14H12F2N2O4 — CID 67955047

IUPAC2-(3,5-difluorophenyl)-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylic acid
SMILESCOCCn1c(-c2cc(F)cc(F)c2)ncc(C(=O)O)c1=O
InChIInChI=1S/C14H12F2N2O4/c1-22-3-2-18-12(8-4-9(15)6-10(16)5-8)17-7-11(13(18)19)14(20)21/h4-7H,2-3H2,1H3,(H,20,21)
InChIKeyBFDADVSQUDITRL-UHFFFAOYSA-N
MW310.26 g/mol
LogP1.53
Rot. Bonds5

About 2-(3,5-difluorophenyl)-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylic acid

2-(3,5-difluorophenyl)-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylic acid (PubChem CID 67955047) has the molecular formula C14H12F2N2O4 and a molecular weight of 310.26 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylic acid
PubChem CID67955047
Molecular FormulaC14H12F2N2O4
Molecular Weight310.26 g/mol
Exact Mass310.08
IUPAC Name2-(3,5-difluorophenyl)-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylic acid
SMILESCOCCn1c(-c2cc(F)cc(F)c2)ncc(C(=O)O)c1=O
InChIInChI=1S/C14H12F2N2O4/c1-22-3-2-18-12(8-4-9(15)6-10(16)5-8)17-7-11(13(18)19)14(20)21/h4-7H,2-3H2,1H3,(H,20,21)
InChIKeyBFDADVSQUDITRL-UHFFFAOYSA-N
XLogP1.53
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylic acid?
The IUPAC name of 2-(3,5-difluorophenyl)-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylic acid (CID 67955047) is 2-(3,5-difluorophenyl)-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylic acid is COCCn1c(-c2cc(F)cc(F)c2)ncc(C(=O)O)c1=O.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylic acid?
The InChIKey is BFDADVSQUDITRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O4/c1-22-3-2-18-12(8-4-9(15)6-10(16)5-8)17-7-11(13(18)19)14(20)21/h4-7H,2-3H2,1H3,(H,20,21).
What are the key properties of 2-(3,5-difluorophenyl)-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylic acid?
2-(3,5-difluorophenyl)-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylic acid has a molecular weight of 310.26 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylic acid is sourced from PubChem (CID 67955047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).