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

C23H27N7O — CID 19138271

IUPACN'-[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
SMILESCN1CCN(c2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2N)CC1
InChIInChI=1S/C23H27N7O/c1-29-12-14-30(15-13-29)22-20(24)21(25-16-26-22)27-28-23(31)19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19H,12-15,24H2,1H3,(H,28,31)(H,25,26,27)
InChIKeyIGDRWRQBERLMQB-UHFFFAOYSA-N
MW417.52 g/mol
LogP2.09
Rot. Bonds6

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

N'-[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide (PubChem CID 19138271) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is N'-[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
PubChem CID19138271
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC NameN'-[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
SMILESCN1CCN(c2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2N)CC1
InChIInChI=1S/C23H27N7O/c1-29-12-14-30(15-13-29)22-20(24)21(25-16-26-22)27-28-23(31)19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19H,12-15,24H2,1H3,(H,28,31)(H,25,26,27)
InChIKeyIGDRWRQBERLMQB-UHFFFAOYSA-N
XLogP2.09
TPSA99.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N'-[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)-2,2-diphenylacetohydrazide
CID 19137361
N'-[5-amino-6-(azepan-1-yl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19137910
N'-[5-amino-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19152192
N'-[5-amino-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19139156
N'-[6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 23490177
N'-[5-amino-6-(2,2-dimethylhydrazinyl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19145603
N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19152176
N'-[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19138262
N'-(5-amino-6-ethoxypyrimidin-4-yl)-2,2-diphenylacetohydrazide
CID 19152171
N'-[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22539870
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19145201
N'-[5-amino-6-(2,3-dichloroanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19146878

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide?
The IUPAC name of N'-[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide (CID 19138271) is N'-[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide.
What is the SMILES notation for N'-[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide?
The canonical SMILES for N'-[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide is CN1CCN(c2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2N)CC1.
What is the InChIKey of N'-[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide?
The InChIKey is IGDRWRQBERLMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-29-12-14-30(15-13-29)22-20(24)21(25-16-26-22)27-28-23(31)19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19H,12-15,24H2,1H3,(H,28,31)(H,25,26,27).
What are the key properties of N'-[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide?
N'-[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide has a molecular weight of 417.52 g/mol, XLogP of 2.09, 6 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-methylpiperazin-1-yl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide is sourced from PubChem (CID 19138271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).