N-[6-(4-methylphenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide

C20H17F3N4O — CID 10340101

IUPACN-[6-(4-methylphenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide
SMILESCC(=O)N(N)c1nc(C(F)(F)F)nc(-c2ccc(C)cc2)c1-c1ccccc1
InChIInChI=1S/C20H17F3N4O/c1-12-8-10-15(11-9-12)17-16(14-6-4-3-5-7-14)18(27(24)13(2)28)26-19(25-17)20(21,22)23/h3-11H,24H2,1-2H3
InChIKeyFURYCCRNQPKCSG-UHFFFAOYSA-N
MW386.38 g/mol
LogP4.36
Rot. Bonds3

About N-[6-(4-methylphenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide

N-[6-(4-methylphenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide (PubChem CID 10340101) has the molecular formula C20H17F3N4O and a molecular weight of 386.38 g/mol. Its IUPAC name is N-[6-(4-methylphenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide.

Molecular Properties

Compound NameN-[6-(4-methylphenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide
PubChem CID10340101
Molecular FormulaC20H17F3N4O
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC NameN-[6-(4-methylphenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide
SMILESCC(=O)N(N)c1nc(C(F)(F)F)nc(-c2ccc(C)cc2)c1-c1ccccc1
InChIInChI=1S/C20H17F3N4O/c1-12-8-10-15(11-9-12)17-16(14-6-4-3-5-7-14)18(27(24)13(2)28)26-19(25-17)20(21,22)23/h3-11H,24H2,1-2H3
InChIKeyFURYCCRNQPKCSG-UHFFFAOYSA-N
XLogP4.36
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 54.36
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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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methylphenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide?
The IUPAC name of N-[6-(4-methylphenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide (CID 10340101) is N-[6-(4-methylphenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide.
What is the SMILES notation for N-[6-(4-methylphenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide?
The canonical SMILES for N-[6-(4-methylphenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide is CC(=O)N(N)c1nc(C(F)(F)F)nc(-c2ccc(C)cc2)c1-c1ccccc1.
What is the InChIKey of N-[6-(4-methylphenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide?
The InChIKey is FURYCCRNQPKCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O/c1-12-8-10-15(11-9-12)17-16(14-6-4-3-5-7-14)18(27(24)13(2)28)26-19(25-17)20(21,22)23/h3-11H,24H2,1-2H3.
What are the key properties of N-[6-(4-methylphenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide?
N-[6-(4-methylphenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide has a molecular weight of 386.38 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methylphenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide is sourced from PubChem (CID 10340101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).