N'-[5-amino-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-2,2-diphenylacetohydrazide

C30H33N7O — CID 19152192

About N'-[5-amino-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-2,2-diphenylacetohydrazide

N'-[5-amino-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-2,2-diphenylacetohydrazide (PubChem CID 19152192) has the molecular formula C30H33N7O and a molecular weight of 507.64 g/mol. Its IUPAC name is N'-[5-amino-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-2,2-diphenylacetohydrazide.

Molecular Properties

• Compound Name: N'-[5-amino-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-2,2-diphenylacetohydrazide
• PubChem CID: 19152192
• Molecular Formula: C30H33N7O
• Molecular Weight: 507.64 g/mol
• Exact Mass: 507.27
• IUPAC Name: N'-[5-amino-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-2,2-diphenylacetohydrazide
• SMILES: Cc1cccc(N2CCN(c3ncnc(NNC(=O)C(c4ccccc4)c4ccccc4)c3N)CC2)c1C
• InChI: InChI=1S/C30H33N7O/c1-21-10-9-15-25(22(21)2)36-16-18-37(19-17-36)29-27(31)28(32-20-33-29)34-35-30(38)26(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-15,20,26H,16-19,31H2,1-2H3,(H,35,38)(H,32,33,34)
• InChIKey: HUKNGRANCVWJGX-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 99.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.64
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

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-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-2,2-diphenylacetohydrazide?

The IUPAC name of N'-[5-amino-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-2,2-diphenylacetohydrazide (CID 19152192) is N'-[5-amino-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-2,2-diphenylacetohydrazide.

What is the SMILES notation for N'-[5-amino-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-2,2-diphenylacetohydrazide?

The canonical SMILES for N'-[5-amino-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-2,2-diphenylacetohydrazide is Cc1cccc(N2CCN(c3ncnc(NNC(=O)C(c4ccccc4)c4ccccc4)c3N)CC2)c1C.

What is the InChIKey of N'-[5-amino-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-2,2-diphenylacetohydrazide?

The InChIKey is HUKNGRANCVWJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7O/c1-21-10-9-15-25(22(21)2)36-16-18-37(19-17-36)29-27(31)28(32-20-33-29)34-35-30(38)26(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-15,20,26H,16-19,31H2,1-2H3,(H,35,38)(H,32,33,34).

What are the key properties of N'-[5-amino-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-2,2-diphenylacetohydrazide?

N'-[5-amino-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-2,2-diphenylacetohydrazide has a molecular weight of 507.64 g/mol, XLogP of 4.28, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[5-amino-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-2,2-diphenylacetohydrazide is sourced from PubChem (CID 19152192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).