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

C30H27N7O — CID 19152191

IUPACN'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-2,2-diphenylacetohydrazide
SMILESNc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C30H27N7O/c31-27-28(35-36-30(38)26(23-14-6-2-7-15-23)24-16-8-3-9-17-24)33-21-34-29(27)37(25-18-10-11-19-32-25)20-22-12-4-1-5-13-22/h1-19,21,26H,20,31H2,(H,36,38)(H,33,34,35)
InChIKeyDAQCXOHQSSDQFU-UHFFFAOYSA-N
MW501.59 g/mol
LogP5.07
Rot. Bonds9

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

N'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-2,2-diphenylacetohydrazide (PubChem CID 19152191) has the molecular formula C30H27N7O and a molecular weight of 501.59 g/mol. Its IUPAC name is N'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-2,2-diphenylacetohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-2,2-diphenylacetohydrazide
PubChem CID19152191
Molecular FormulaC30H27N7O
Molecular Weight501.59 g/mol
Exact Mass501.23
IUPAC NameN'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-2,2-diphenylacetohydrazide
SMILESNc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C30H27N7O/c31-27-28(35-36-30(38)26(23-14-6-2-7-15-23)24-16-8-3-9-17-24)33-21-34-29(27)37(25-18-10-11-19-32-25)20-22-12-4-1-5-13-22/h1-19,21,26H,20,31H2,(H,36,38)(H,33,34,35)
InChIKeyDAQCXOHQSSDQFU-UHFFFAOYSA-N
XLogP5.07
TPSA109.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.59
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19151321
N'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151774
N'-[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22539870
4-N-benzyl-6-N-[(4-fluorophenyl)methyl]-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19153504
4-N-benzyl-6-N-(4-fluorophenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19149049
N'-[5-amino-6-(2,2-dimethylhydrazinyl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19145603
4-N-benzyl-6-N-(2-methoxyethyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19150486
N'-(5-amino-6-ethoxypyrimidin-4-yl)-2,2-diphenylacetohydrazide
CID 19152171
4-N-benzyl-6-N-(2,3-dimethylphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19143230
N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19152176
4-N-benzyl-6-N,6-N-diethyl-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19136839
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19145201

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-2,2-diphenylacetohydrazide?
The IUPAC name of N'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-2,2-diphenylacetohydrazide (CID 19152191) is N'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-2,2-diphenylacetohydrazide.
What is the SMILES notation for N'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-2,2-diphenylacetohydrazide?
The canonical SMILES for N'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-2,2-diphenylacetohydrazide is Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1N(Cc1ccccc1)c1ccccn1.
What is the InChIKey of N'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-2,2-diphenylacetohydrazide?
The InChIKey is DAQCXOHQSSDQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N7O/c31-27-28(35-36-30(38)26(23-14-6-2-7-15-23)24-16-8-3-9-17-24)33-21-34-29(27)37(25-18-10-11-19-32-25)20-22-12-4-1-5-13-22/h1-19,21,26H,20,31H2,(H,36,38)(H,33,34,35).
What are the key properties of N'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-2,2-diphenylacetohydrazide?
N'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-2,2-diphenylacetohydrazide has a molecular weight of 501.59 g/mol, XLogP of 5.07, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-2,2-diphenylacetohydrazide is sourced from PubChem (CID 19152191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).