N'-[5-amino-6-(4-chloro-3,5-dimethylphenoxy)pyrimidin-4-yl]-2,2-diphenylacetohydrazide

C26H24ClN5O2 — CID 19152184

About N'-[5-amino-6-(4-chloro-3,5-dimethylphenoxy)pyrimidin-4-yl]-2,2-diphenylacetohydrazide

N'-[5-amino-6-(4-chloro-3,5-dimethylphenoxy)pyrimidin-4-yl]-2,2-diphenylacetohydrazide (PubChem CID 19152184) has the molecular formula C26H24ClN5O2 and a molecular weight of 473.96 g/mol. Its IUPAC name is N'-[5-amino-6-(4-chloro-3,5-dimethylphenoxy)pyrimidin-4-yl]-2,2-diphenylacetohydrazide.

Molecular Properties

• Compound Name: N'-[5-amino-6-(4-chloro-3,5-dimethylphenoxy)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
• PubChem CID: 19152184
• Molecular Formula: C26H24ClN5O2
• Molecular Weight: 473.96 g/mol
• Exact Mass: 473.16
• IUPAC Name: N'-[5-amino-6-(4-chloro-3,5-dimethylphenoxy)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
• SMILES: Cc1cc(Oc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2N)cc(C)c1Cl
• InChI: InChI=1S/C26H24ClN5O2/c1-16-13-20(14-17(2)22(16)27)34-26-23(28)24(29-15-30-26)31-32-25(33)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,21H,28H2,1-2H3,(H,32,33)(H,29,30,31)
• InChIKey: IELDBEQBEUKAEH-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 102.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.96
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(4-chloro-3,5-dimethylphenoxy)pyrimidin-4-yl]-2,2-diphenylacetohydrazide?

The IUPAC name of N'-[5-amino-6-(4-chloro-3,5-dimethylphenoxy)pyrimidin-4-yl]-2,2-diphenylacetohydrazide (CID 19152184) is N'-[5-amino-6-(4-chloro-3,5-dimethylphenoxy)pyrimidin-4-yl]-2,2-diphenylacetohydrazide.

What is the SMILES notation for N'-[5-amino-6-(4-chloro-3,5-dimethylphenoxy)pyrimidin-4-yl]-2,2-diphenylacetohydrazide?

The canonical SMILES for N'-[5-amino-6-(4-chloro-3,5-dimethylphenoxy)pyrimidin-4-yl]-2,2-diphenylacetohydrazide is Cc1cc(Oc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2N)cc(C)c1Cl.

What is the InChIKey of N'-[5-amino-6-(4-chloro-3,5-dimethylphenoxy)pyrimidin-4-yl]-2,2-diphenylacetohydrazide?

The InChIKey is IELDBEQBEUKAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN5O2/c1-16-13-20(14-17(2)22(16)27)34-26-23(28)24(29-15-30-26)31-32-25(33)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,21H,28H2,1-2H3,(H,32,33)(H,29,30,31).

What are the key properties of N'-[5-amino-6-(4-chloro-3,5-dimethylphenoxy)pyrimidin-4-yl]-2,2-diphenylacetohydrazide?

N'-[5-amino-6-(4-chloro-3,5-dimethylphenoxy)pyrimidin-4-yl]-2,2-diphenylacetohydrazide has a molecular weight of 473.96 g/mol, XLogP of 5.40, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[5-amino-6-(4-chloro-3,5-dimethylphenoxy)pyrimidin-4-yl]-2,2-diphenylacetohydrazide is sourced from PubChem (CID 19152184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).