N-(2-methylpropyl)-6-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-5-carboxamide

C20H24F3N5O2 — CID 24719423

IUPACN-(2-methylpropyl)-6-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-5-carboxamide
SMILESCC(C)CNC(=O)c1cnc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[nH]c1=O
InChIInChI=1S/C20H24F3N5O2/c1-13(2)11-24-17(29)16-12-25-19(26-18(16)30)28-8-6-27(7-9-28)15-5-3-4-14(10-15)20(21,22)23/h3-5,10,12-13H,6-9,11H2,1-2H3,(H,24,29)(H,25,26,30)
InChIKeyWNJFCCIKSJJJOC-UHFFFAOYSA-N
MW423.44 g/mol
LogP2.50
Rot. Bonds5

About N-(2-methylpropyl)-6-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-5-carboxamide

N-(2-methylpropyl)-6-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-5-carboxamide (PubChem CID 24719423) has the molecular formula C20H24F3N5O2 and a molecular weight of 423.44 g/mol. Its IUPAC name is N-(2-methylpropyl)-6-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-6-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-5-carboxamide
PubChem CID24719423
Molecular FormulaC20H24F3N5O2
Molecular Weight423.44 g/mol
Exact Mass423.19
IUPAC NameN-(2-methylpropyl)-6-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-5-carboxamide
SMILESCC(C)CNC(=O)c1cnc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[nH]c1=O
InChIInChI=1S/C20H24F3N5O2/c1-13(2)11-24-17(29)16-12-25-19(26-18(16)30)28-8-6-27(7-9-28)15-5-3-4-14(10-15)20(21,22)23/h3-5,10,12-13H,6-9,11H2,1-2H3,(H,24,29)(H,25,26,30)
InChIKeyWNJFCCIKSJJJOC-UHFFFAOYSA-N
XLogP2.50
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-propan-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 135602314
N-(2-methylpropylcarbamoyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide
CID 8547713
(2R)-N-propyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 9459892
4-(methoxymethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 135911478
3,4-dimethyl-6-oxo-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1H-pyridazine-5-carboxamide
CID 112841508
N-(3,3-dimethylbutyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 38332211
(5-methylpyrazin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 42965297
(2S)-2-amino-4-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentan-1-one
CID 118427533
N-(1-phenylethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199208
4-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-3,5-dioxo-2-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxamide
CID 46005631
2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 18082732
(2S)-N-propan-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 25384906

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-6-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(2-methylpropyl)-6-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-5-carboxamide (CID 24719423) is N-(2-methylpropyl)-6-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-6-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-6-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-5-carboxamide is CC(C)CNC(=O)c1cnc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[nH]c1=O.
What is the InChIKey of N-(2-methylpropyl)-6-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-5-carboxamide?
The InChIKey is WNJFCCIKSJJJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5O2/c1-13(2)11-24-17(29)16-12-25-19(26-18(16)30)28-8-6-27(7-9-28)15-5-3-4-14(10-15)20(21,22)23/h3-5,10,12-13H,6-9,11H2,1-2H3,(H,24,29)(H,25,26,30).
What are the key properties of N-(2-methylpropyl)-6-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-5-carboxamide?
N-(2-methylpropyl)-6-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-5-carboxamide has a molecular weight of 423.44 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-6-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 24719423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).