N-(2-hydroxyethyl)-2-phenyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-carboxamide

C17H18F3N3O3 — CID 71912891

IUPACN-(2-hydroxyethyl)-2-phenyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-carboxamide
SMILESO=C(c1cnc(-c2ccccc2)nc1)N(CCO)CCOCC(F)(F)F
InChIInChI=1S/C17H18F3N3O3/c18-17(19,20)12-26-9-7-23(6-8-24)16(25)14-10-21-15(22-11-14)13-4-2-1-3-5-13/h1-5,10-11,24H,6-9,12H2
InChIKeyGMGFSLWQEMJABE-UHFFFAOYSA-N
MW369.34 g/mol
LogP2.16
Rot. Bonds8

About N-(2-hydroxyethyl)-2-phenyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-carboxamide

N-(2-hydroxyethyl)-2-phenyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-carboxamide (PubChem CID 71912891) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-phenyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-phenyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-carboxamide
PubChem CID71912891
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34 g/mol
Exact Mass369.13
IUPAC NameN-(2-hydroxyethyl)-2-phenyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-carboxamide
SMILESO=C(c1cnc(-c2ccccc2)nc1)N(CCO)CCOCC(F)(F)F
InChIInChI=1S/C17H18F3N3O3/c18-17(19,20)12-26-9-7-23(6-8-24)16(25)14-10-21-15(22-11-14)13-4-2-1-3-5-13/h1-5,10-11,24H,6-9,12H2
InChIKeyGMGFSLWQEMJABE-UHFFFAOYSA-N
XLogP2.16
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,6-dimethylphenyl)-1-(2-hydroxyethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]urea
CID 111578878
N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772786
N-(2-cyanoethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 57306314
6-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 66462930
N-(1-hydroxypropan-2-yl)-N-methyl-2-phenylpyrimidine-5-carboxamide
CID 109388553
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103857573
6-(dimethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 103857272
3-(2-fluoro-5-methylphenyl)-1-(2-hydroxyethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]urea
CID 111578872
N,N-dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxamide
CID 78956359
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-chloro-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide
CID 18387224
N-ethyl-N-(2-hydroxyethyl)-5-phenylpyridine-3-carboxamide
CID 109468089
6-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-3-carboxylic acid
CID 61317563

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-phenyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-phenyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-carboxamide (CID 71912891) is N-(2-hydroxyethyl)-2-phenyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-phenyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-phenyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-carboxamide is O=C(c1cnc(-c2ccccc2)nc1)N(CCO)CCOCC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-2-phenyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-carboxamide?
The InChIKey is GMGFSLWQEMJABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3/c18-17(19,20)12-26-9-7-23(6-8-24)16(25)14-10-21-15(22-11-14)13-4-2-1-3-5-13/h1-5,10-11,24H,6-9,12H2.
What are the key properties of N-(2-hydroxyethyl)-2-phenyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-carboxamide?
N-(2-hydroxyethyl)-2-phenyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-carboxamide has a molecular weight of 369.34 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-phenyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 71912891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).