2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N'-[2-(trifluoromethyl)phenyl]acetohydrazide

C15H15F3N4O2 — CID 135931990

IUPAC2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N'-[2-(trifluoromethyl)phenyl]acetohydrazide
SMILESCc1nc(C)c(CC(=O)NNc2ccccc2C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C15H15F3N4O2/c1-8-10(14(24)20-9(2)19-8)7-13(23)22-21-12-6-4-3-5-11(12)15(16,17)18/h3-6,21H,7H2,1-2H3,(H,22,23)(H,19,20,24)
InChIKeyULLYURPIDBFIDT-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.09
Rot. Bonds4

About 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N'-[2-(trifluoromethyl)phenyl]acetohydrazide

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N'-[2-(trifluoromethyl)phenyl]acetohydrazide (PubChem CID 135931990) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N'-[2-(trifluoromethyl)phenyl]acetohydrazide.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N'-[2-(trifluoromethyl)phenyl]acetohydrazide
PubChem CID135931990
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N'-[2-(trifluoromethyl)phenyl]acetohydrazide
SMILESCc1nc(C)c(CC(=O)NNc2ccccc2C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C15H15F3N4O2/c1-8-10(14(24)20-9(2)19-8)7-13(23)22-21-12-6-4-3-5-11(12)15(16,17)18/h3-6,21H,7H2,1-2H3,(H,22,23)(H,19,20,24)
InChIKeyULLYURPIDBFIDT-UHFFFAOYSA-N
XLogP2.09
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-tert-butylphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136890125
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 135956419
N-(2-bromophenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136669960
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 135896930
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 136890117
N-(2-benzylphenyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135676896
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 135676897
N-(4-acetylphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136890172
N-(2,5-dichlorophenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136669983
(1S,10R)-5-methyl-7-oxo-N-[2-(trifluoromethyl)phenyl]-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-diene-13-carboxamide
CID 137256776
[2-(trifluoromethyl)anilino]urea
CID 141255172
5-[2-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136988459

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N'-[2-(trifluoromethyl)phenyl]acetohydrazide?
The IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N'-[2-(trifluoromethyl)phenyl]acetohydrazide (CID 135931990) is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N'-[2-(trifluoromethyl)phenyl]acetohydrazide.
What is the SMILES notation for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N'-[2-(trifluoromethyl)phenyl]acetohydrazide?
The canonical SMILES for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N'-[2-(trifluoromethyl)phenyl]acetohydrazide is Cc1nc(C)c(CC(=O)NNc2ccccc2C(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N'-[2-(trifluoromethyl)phenyl]acetohydrazide?
The InChIKey is ULLYURPIDBFIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c1-8-10(14(24)20-9(2)19-8)7-13(23)22-21-12-6-4-3-5-11(12)15(16,17)18/h3-6,21H,7H2,1-2H3,(H,22,23)(H,19,20,24).
What are the key properties of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N'-[2-(trifluoromethyl)phenyl]acetohydrazide?
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N'-[2-(trifluoromethyl)phenyl]acetohydrazide has a molecular weight of 340.31 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N'-[2-(trifluoromethyl)phenyl]acetohydrazide is sourced from PubChem (CID 135931990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).