N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-(2,4,6-trimethylphenyl)acetohydrazide

C20H24BrN5O — CID 46913918

IUPACN'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-(2,4,6-trimethylphenyl)acetohydrazide
SMILESCc1cc(C)c(CC(=O)NN(CC(C)C)c2nc(C#N)ncc2Br)c(C)c1
InChIInChI=1S/C20H24BrN5O/c1-12(2)11-26(20-17(21)10-23-18(9-22)24-20)25-19(27)8-16-14(4)6-13(3)7-15(16)5/h6-7,10,12H,8,11H2,1-5H3,(H,25,27)
InChIKeyVUEXRRPFSOLGME-UHFFFAOYSA-N
MW430.35 g/mol
LogP3.77
Rot. Bonds6

About N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-(2,4,6-trimethylphenyl)acetohydrazide

N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-(2,4,6-trimethylphenyl)acetohydrazide (PubChem CID 46913918) has the molecular formula C20H24BrN5O and a molecular weight of 430.35 g/mol. Its IUPAC name is N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-(2,4,6-trimethylphenyl)acetohydrazide.

Molecular Properties

Compound NameN'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-(2,4,6-trimethylphenyl)acetohydrazide
PubChem CID46913918
Molecular FormulaC20H24BrN5O
Molecular Weight430.35 g/mol
Exact Mass429.12
IUPAC NameN'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-(2,4,6-trimethylphenyl)acetohydrazide
SMILESCc1cc(C)c(CC(=O)NN(CC(C)C)c2nc(C#N)ncc2Br)c(C)c1
InChIInChI=1S/C20H24BrN5O/c1-12(2)11-26(20-17(21)10-23-18(9-22)24-20)25-19(27)8-16-14(4)6-13(3)7-15(16)5/h6-7,10,12H,8,11H2,1-5H3,(H,25,27)
InChIKeyVUEXRRPFSOLGME-UHFFFAOYSA-N
XLogP3.77
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-(2,4,6-trimethylphenyl)acetohydrazide?
The IUPAC name of N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-(2,4,6-trimethylphenyl)acetohydrazide (CID 46913918) is N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-(2,4,6-trimethylphenyl)acetohydrazide.
What is the SMILES notation for N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-(2,4,6-trimethylphenyl)acetohydrazide?
The canonical SMILES for N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-(2,4,6-trimethylphenyl)acetohydrazide is Cc1cc(C)c(CC(=O)NN(CC(C)C)c2nc(C#N)ncc2Br)c(C)c1.
What is the InChIKey of N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-(2,4,6-trimethylphenyl)acetohydrazide?
The InChIKey is VUEXRRPFSOLGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN5O/c1-12(2)11-26(20-17(21)10-23-18(9-22)24-20)25-19(27)8-16-14(4)6-13(3)7-15(16)5/h6-7,10,12H,8,11H2,1-5H3,(H,25,27).
What are the key properties of N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-(2,4,6-trimethylphenyl)acetohydrazide?
N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-(2,4,6-trimethylphenyl)acetohydrazide has a molecular weight of 430.35 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-(2,4,6-trimethylphenyl)acetohydrazide is sourced from PubChem (CID 46913918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).