N-[5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide

C19H15F3N4O — CID 10022145

IUPACN-[5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide
SMILESCC(=O)N(N)c1nc(C(F)(F)F)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C19H15F3N4O/c1-12(27)26(23)17-15(13-8-4-2-5-9-13)16(14-10-6-3-7-11-14)24-18(25-17)19(20,21)22/h2-11H,23H2,1H3
InChIKeyRDXOHQYYYXLWHH-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.06
Rot. Bonds3

About N-[5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide

N-[5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide (PubChem CID 10022145) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is N-[5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide.

Molecular Properties

Compound NameN-[5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide
PubChem CID10022145
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC NameN-[5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide
SMILESCC(=O)N(N)c1nc(C(F)(F)F)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C19H15F3N4O/c1-12(27)26(23)17-15(13-8-4-2-5-9-13)16(14-10-6-3-7-11-14)24-18(25-17)19(20,21)22/h2-11H,23H2,1H3
InChIKeyRDXOHQYYYXLWHH-UHFFFAOYSA-N
XLogP4.06
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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-(2,6-diphenylpyrimidin-4-yl)acetamide
CID 11185362
N-(2,6-diphenylpyrimidin-4-yl)isobutyramide
CID 11313151
N-(2,6-diphenylpyrimidin-4-yl)butyramide
CID 11359018
N-(2,6-diphenylpyrimidin-4-yl)propionamide
CID 11438116
4,6-Diphenyl-2-pyrimidinecarbohydrazide
CID 781071
1-Phenylethanone (5-allyl-6-methyl-2-phenyl-4-pyrimidinyl)hydrazone
CID 5763739
N-(2,6-diphenylpyrimidin-4-yl)-2,2-dimethylpropionamide
CID 11473008
5-(Aminomethyl)-2-phenyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 10125953
N-2,6-di-p-tolylpyrimidin-4-yl)propionamide
CID 44203643
N-(5-cyano-2,6-diphenylpyrimidin-4-yl)butanamide
CID 44451815
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-(trifluoromethyl)phenyl)pyrimidin-4-yl)acetamide
CID 44589833
N-(4,6-bis(2-methoxyphenyl)pyrimidin-2-yl)propionamide
CID 50940926

Frequently Asked Questions

What is the IUPAC name of N-[5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide?
The IUPAC name of N-[5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide (CID 10022145) is N-[5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide.
What is the SMILES notation for N-[5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide?
The canonical SMILES for N-[5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide is CC(=O)N(N)c1nc(C(F)(F)F)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of N-[5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide?
The InChIKey is RDXOHQYYYXLWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c1-12(27)26(23)17-15(13-8-4-2-5-9-13)16(14-10-6-3-7-11-14)24-18(25-17)19(20,21)22/h2-11H,23H2,1H3.
What are the key properties of N-[5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide?
N-[5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide has a molecular weight of 372.35 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide is sourced from PubChem (CID 10022145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).