2-[4-methyl-6-oxo-2-(trichloromethyl)-1H-pyrimidin-5-yl]acetohydrazide

C8H9Cl3N4O2 — CID 136837181

IUPAC2-[4-methyl-6-oxo-2-(trichloromethyl)-1H-pyrimidin-5-yl]acetohydrazide
SMILESCc1nc(C(Cl)(Cl)Cl)[nH]c(=O)c1CC(=O)NN
InChIInChI=1S/C8H9Cl3N4O2/c1-3-4(2-5(16)15-12)6(17)14-7(13-3)8(9,10)11/h2,12H2,1H3,(H,15,16)(H,13,14,17)
InChIKeySUWBHSZMLQQWKE-UHFFFAOYSA-N
MW299.55 g/mol
LogP0.44
Rot. Bonds2

About 2-[4-methyl-6-oxo-2-(trichloromethyl)-1H-pyrimidin-5-yl]acetohydrazide

2-[4-methyl-6-oxo-2-(trichloromethyl)-1H-pyrimidin-5-yl]acetohydrazide (PubChem CID 136837181) has the molecular formula C8H9Cl3N4O2 and a molecular weight of 299.55 g/mol. Its IUPAC name is 2-[4-methyl-6-oxo-2-(trichloromethyl)-1H-pyrimidin-5-yl]acetohydrazide.

Molecular Properties

Compound Name2-[4-methyl-6-oxo-2-(trichloromethyl)-1H-pyrimidin-5-yl]acetohydrazide
PubChem CID136837181
Molecular FormulaC8H9Cl3N4O2
Molecular Weight299.55 g/mol
Exact Mass297.98
IUPAC Name2-[4-methyl-6-oxo-2-(trichloromethyl)-1H-pyrimidin-5-yl]acetohydrazide
SMILESCc1nc(C(Cl)(Cl)Cl)[nH]c(=O)c1CC(=O)NN
InChIInChI=1S/C8H9Cl3N4O2/c1-3-4(2-5(16)15-12)6(17)14-7(13-3)8(9,10)11/h2,12H2,1H3,(H,15,16)(H,13,14,17)
InChIKeySUWBHSZMLQQWKE-UHFFFAOYSA-N
XLogP0.44
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.55
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136665153
N-(2-tert-butylphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136890125
N-(2,6-difluorophenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136670006
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N'-[2-(trifluoromethyl)phenyl]acetohydrazide
CID 135931990
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-fluorophenyl)methyl]acetamide
CID 135956419
2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]acetamide
CID 136665365
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide
CID 167879268
N-(2,5-dichlorophenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136669983
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 135956418
N-(4-acetylphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136890172
N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136662521

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-6-oxo-2-(trichloromethyl)-1H-pyrimidin-5-yl]acetohydrazide?
The IUPAC name of 2-[4-methyl-6-oxo-2-(trichloromethyl)-1H-pyrimidin-5-yl]acetohydrazide (CID 136837181) is 2-[4-methyl-6-oxo-2-(trichloromethyl)-1H-pyrimidin-5-yl]acetohydrazide.
What is the SMILES notation for 2-[4-methyl-6-oxo-2-(trichloromethyl)-1H-pyrimidin-5-yl]acetohydrazide?
The canonical SMILES for 2-[4-methyl-6-oxo-2-(trichloromethyl)-1H-pyrimidin-5-yl]acetohydrazide is Cc1nc(C(Cl)(Cl)Cl)[nH]c(=O)c1CC(=O)NN.
What is the InChIKey of 2-[4-methyl-6-oxo-2-(trichloromethyl)-1H-pyrimidin-5-yl]acetohydrazide?
The InChIKey is SUWBHSZMLQQWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl3N4O2/c1-3-4(2-5(16)15-12)6(17)14-7(13-3)8(9,10)11/h2,12H2,1H3,(H,15,16)(H,13,14,17).
What are the key properties of 2-[4-methyl-6-oxo-2-(trichloromethyl)-1H-pyrimidin-5-yl]acetohydrazide?
2-[4-methyl-6-oxo-2-(trichloromethyl)-1H-pyrimidin-5-yl]acetohydrazide has a molecular weight of 299.55 g/mol, XLogP of 0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-6-oxo-2-(trichloromethyl)-1H-pyrimidin-5-yl]acetohydrazide is sourced from PubChem (CID 136837181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).