3-(4-fluorophenyl)-1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carboxamide

C14H14FN3O4 — CID 175771443

IUPAC3-(4-fluorophenyl)-1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carboxamide
SMILESCOCCn1cc(C(N)=O)c(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C14H14FN3O4/c1-22-7-6-17-8-11(12(16)19)13(20)18(14(17)21)10-4-2-9(15)3-5-10/h2-5,8H,6-7H2,1H3,(H2,16,19)
InChIKeyOUAANVXXNBXWBJ-UHFFFAOYSA-N
MW307.28 g/mol
LogP-0.12
Rot. Bonds5

About 3-(4-fluorophenyl)-1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carboxamide

3-(4-fluorophenyl)-1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 175771443) has the molecular formula C14H14FN3O4 and a molecular weight of 307.28 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carboxamide
PubChem CID175771443
Molecular FormulaC14H14FN3O4
Molecular Weight307.28 g/mol
Exact Mass307.10
IUPAC Name3-(4-fluorophenyl)-1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carboxamide
SMILESCOCCn1cc(C(N)=O)c(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C14H14FN3O4/c1-22-7-6-17-8-11(12(16)19)13(20)18(14(17)21)10-4-2-9(15)3-5-10/h2-5,8H,6-7H2,1H3,(H2,16,19)
InChIKeyOUAANVXXNBXWBJ-UHFFFAOYSA-N
XLogP-0.12
TPSA96.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-acetyl-1-(2-ethoxyethyl)-3-(4-fluorophenyl)pyrimidine-2,4-dione
CID 144877120
5-cyclopropyl-1-(4-fluorophenyl)-6-(methoxymethyl)-2-oxopyridine-3-carboxamide
CID 175752136
1-(4-fluorophenyl)-5,6-dimethyl-2-oxopyridine-3-carboxamide
CID 153406253
ethyl 3-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)-2,4-dioxopyrimidine-5-carboxylate
CID 162488526
1-[(2-chloro-4-fluorophenyl)methyl]-3-(3-chlorophenyl)-2,4-dioxopyrimidine-5-carboxamide
CID 142894565
1-(4-fluorophenyl)-4-(2-methoxyethoxy)pyrazole-3-carboxamide
CID 66610665
1-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 174497600
1-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2,4-dioxopyrimidine-5-carboxamide
CID 142894555
1-(2-fluoroethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carbaldehyde
CID 166707153
5-[2-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]acetyl]-3-(4-fluorophenyl)-1-(3-methoxypropyl)pyrimidine-2,4-dione
CID 167554094
1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 68808936
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(4-fluorophenyl)-1-(2-hydroxyethyl)-2,4-dioxopyrimidine-5-carboxamide
CID 90452624

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carboxamide (CID 175771443) is 3-(4-fluorophenyl)-1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carboxamide is COCCn1cc(C(N)=O)c(=O)n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 3-(4-fluorophenyl)-1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is OUAANVXXNBXWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O4/c1-22-7-6-17-8-11(12(16)19)13(20)18(14(17)21)10-4-2-9(15)3-5-10/h2-5,8H,6-7H2,1H3,(H2,16,19).
What are the key properties of 3-(4-fluorophenyl)-1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carboxamide?
3-(4-fluorophenyl)-1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 307.28 g/mol, XLogP of -0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 175771443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).