N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide

C23H18FN5O4 — CID 90516273

IUPACN-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
SMILESO=C(NCCn1cnc(-c2ccc(F)cc2)cc1=O)c1c[nH]c(=O)n(-c2ccccc2)c1=O
InChIInChI=1S/C23H18FN5O4/c24-16-8-6-15(7-9-16)19-12-20(30)28(14-27-19)11-10-25-21(31)18-13-26-23(33)29(22(18)32)17-4-2-1-3-5-17/h1-9,12-14H,10-11H2,(H,25,31)(H,26,33)
InChIKeyQJYLIVODPYEPKW-UHFFFAOYSA-N
MW447.43 g/mol
LogP1.32
Rot. Bonds6

About N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide

N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide (PubChem CID 90516273) has the molecular formula C23H18FN5O4 and a molecular weight of 447.43 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
PubChem CID90516273
Molecular FormulaC23H18FN5O4
Molecular Weight447.43 g/mol
Exact Mass447.13
IUPAC NameN-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
SMILESO=C(NCCn1cnc(-c2ccc(F)cc2)cc1=O)c1c[nH]c(=O)n(-c2ccccc2)c1=O
InChIInChI=1S/C23H18FN5O4/c24-16-8-6-15(7-9-16)19-12-20(30)28(14-27-19)11-10-25-21(31)18-13-26-23(33)29(22(18)32)17-4-2-1-3-5-17/h1-9,12-14H,10-11H2,(H,25,31)(H,26,33)
InChIKeyQJYLIVODPYEPKW-UHFFFAOYSA-N
XLogP1.32
TPSA118.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.43
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 121119752
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-3-(2-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121106806
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-methylbenzoyl)benzamide
CID 90516055
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-oxochromene-3-carboxamide
CID 90516061
3-(2-methoxyphenyl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121119362
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90516229
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121120476
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-3,5-dimethylbenzamide
CID 90516106
2,4-dioxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-3-phenyl-1H-pyrimidine-5-carboxamide
CID 90538867
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-3,4-dimethylbenzamide
CID 90516097
2-chloro-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-5-nitrobenzamide
CID 90516068
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168298

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide (CID 90516273) is N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide is O=C(NCCn1cnc(-c2ccc(F)cc2)cc1=O)c1c[nH]c(=O)n(-c2ccccc2)c1=O.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide?
The InChIKey is QJYLIVODPYEPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O4/c24-16-8-6-15(7-9-16)19-12-20(30)28(14-27-19)11-10-25-21(31)18-13-26-23(33)29(22(18)32)17-4-2-1-3-5-17/h1-9,12-14H,10-11H2,(H,25,31)(H,26,33).
What are the key properties of N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide?
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide has a molecular weight of 447.43 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 90516273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).