1-(2-hydroxyethyl)-2,4-dioxo-N-[2-[4-(trifluoromethyl)phenyl]propyl]pyrimidine-5-carboxamide

C17H18F3N3O4 — CID 154864175

IUPAC1-(2-hydroxyethyl)-2,4-dioxo-N-[2-[4-(trifluoromethyl)phenyl]propyl]pyrimidine-5-carboxamide
SMILESCC(CNC(=O)c1cn(CCO)c(=O)[nH]c1=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H18F3N3O4/c1-10(11-2-4-12(5-3-11)17(18,19)20)8-21-14(25)13-9-23(6-7-24)16(27)22-15(13)26/h2-5,9-10,24H,6-8H2,1H3,(H,21,25)(H,22,26,27)
InChIKeyUWWQTZAXBMGAKT-UHFFFAOYSA-N
MW385.34 g/mol
LogP1.08
Rot. Bonds6

About 1-(2-hydroxyethyl)-2,4-dioxo-N-[2-[4-(trifluoromethyl)phenyl]propyl]pyrimidine-5-carboxamide

1-(2-hydroxyethyl)-2,4-dioxo-N-[2-[4-(trifluoromethyl)phenyl]propyl]pyrimidine-5-carboxamide (PubChem CID 154864175) has the molecular formula C17H18F3N3O4 and a molecular weight of 385.34 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-2,4-dioxo-N-[2-[4-(trifluoromethyl)phenyl]propyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-2,4-dioxo-N-[2-[4-(trifluoromethyl)phenyl]propyl]pyrimidine-5-carboxamide
PubChem CID154864175
Molecular FormulaC17H18F3N3O4
Molecular Weight385.34 g/mol
Exact Mass385.12
IUPAC Name1-(2-hydroxyethyl)-2,4-dioxo-N-[2-[4-(trifluoromethyl)phenyl]propyl]pyrimidine-5-carboxamide
SMILESCC(CNC(=O)c1cn(CCO)c(=O)[nH]c1=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H18F3N3O4/c1-10(11-2-4-12(5-3-11)17(18,19)20)8-21-14(25)13-9-23(6-7-24)16(27)22-15(13)26/h2-5,9-10,24H,6-8H2,1H3,(H,21,25)(H,22,26,27)
InChIKeyUWWQTZAXBMGAKT-UHFFFAOYSA-N
XLogP1.08
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-[3-(3,5-Difluorophenyl)propyl-(2-hydroxyethyl)amino]propylamino]-1,3-dimethylpyrimidine-2,4-dione
CID 19011962
5-fluoro-N-[2-(4-methylphenyl)propyl]-2,4-dioxopyrimidine-1-carboxamide
CID 54214924
4-[(2-fluoro-4-iodophenyl)methyl]-N-(2-hydroxyethyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide
CID 58374894
Ethane;5-methyl-1-[3-[3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]propyl]pyrimidine-2,4-dione
CID 143550833
5-[[2-(4-Fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 28612893
5-[[2-(2-Fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 28614591
5-[[2-(3-Fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 43565865
1-(2-methoxyethyl)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 47049056
N-[2-(4-fluorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 84555565
2-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)-[[4-(trifluoromethyl)phenyl]methyl]amino]acetic acid
CID 119197209
3-(2-fluorobenzyl)-N-(2-methoxyethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 121026626
N-[2-(2-fluorophenyl)-2-methylpropyl]-1-(2-hydroxyethyl)-2,4-dioxopyrimidine-5-carboxamide
CID 122132916

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-2,4-dioxo-N-[2-[4-(trifluoromethyl)phenyl]propyl]pyrimidine-5-carboxamide?
The IUPAC name of 1-(2-hydroxyethyl)-2,4-dioxo-N-[2-[4-(trifluoromethyl)phenyl]propyl]pyrimidine-5-carboxamide (CID 154864175) is 1-(2-hydroxyethyl)-2,4-dioxo-N-[2-[4-(trifluoromethyl)phenyl]propyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-2,4-dioxo-N-[2-[4-(trifluoromethyl)phenyl]propyl]pyrimidine-5-carboxamide?
The canonical SMILES for 1-(2-hydroxyethyl)-2,4-dioxo-N-[2-[4-(trifluoromethyl)phenyl]propyl]pyrimidine-5-carboxamide is CC(CNC(=O)c1cn(CCO)c(=O)[nH]c1=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(2-hydroxyethyl)-2,4-dioxo-N-[2-[4-(trifluoromethyl)phenyl]propyl]pyrimidine-5-carboxamide?
The InChIKey is UWWQTZAXBMGAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O4/c1-10(11-2-4-12(5-3-11)17(18,19)20)8-21-14(25)13-9-23(6-7-24)16(27)22-15(13)26/h2-5,9-10,24H,6-8H2,1H3,(H,21,25)(H,22,26,27).
What are the key properties of 1-(2-hydroxyethyl)-2,4-dioxo-N-[2-[4-(trifluoromethyl)phenyl]propyl]pyrimidine-5-carboxamide?
1-(2-hydroxyethyl)-2,4-dioxo-N-[2-[4-(trifluoromethyl)phenyl]propyl]pyrimidine-5-carboxamide has a molecular weight of 385.34 g/mol, XLogP of 1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-2,4-dioxo-N-[2-[4-(trifluoromethyl)phenyl]propyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 154864175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).