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

C22H27N7O — CID 19152176

IUPACN'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
SMILESCC(C)(C)NNc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1N
InChIInChI=1S/C22H27N7O/c1-22(2,3)29-27-20-18(23)19(24-14-25-20)26-28-21(30)17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,17,29H,23H2,1-3H3,(H,28,30)(H2,24,25,26,27)
InChIKeyVTJBLMBTYDPKIM-UHFFFAOYSA-N
MW405.51 g/mol
LogP3.05
Rot. Bonds7

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

N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide (PubChem CID 19152176) has the molecular formula C22H27N7O and a molecular weight of 405.51 g/mol. Its IUPAC name is N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
PubChem CID19152176
Molecular FormulaC22H27N7O
Molecular Weight405.51 g/mol
Exact Mass405.23
IUPAC NameN'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
SMILESCC(C)(C)NNc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1N
InChIInChI=1S/C22H27N7O/c1-22(2,3)29-27-20-18(23)19(24-14-25-20)26-28-21(30)17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,17,29H,23H2,1-3H3,(H,28,30)(H2,24,25,26,27)
InChIKeyVTJBLMBTYDPKIM-UHFFFAOYSA-N
XLogP3.05
TPSA116.99 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 53.05
H-Bond Donors ≤ 55
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-(2,2-dimethylhydrazinyl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19145603
N'-(5-amino-6-ethoxypyrimidin-4-yl)-2,2-diphenylacetohydrazide
CID 19152171
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19145201
N'-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)-2,2-diphenylacetohydrazide
CID 19137361
N'-[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19138271
N'-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19143355
N'-[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22539870
N'-[5-amino-6-(2,5-dimethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22547096
N'-[5-amino-6-(azepan-1-yl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19137910
N'-[5-amino-6-(2,3-dichloroanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19146878
N'-[5-amino-6-[2-(2,2-diphenylacetyl)hydrazinyl]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19151677
N'-[5-amino-6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22541949

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide?
The IUPAC name of N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide (CID 19152176) is N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide.
What is the SMILES notation for N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide?
The canonical SMILES for N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide is CC(C)(C)NNc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1N.
What is the InChIKey of N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide?
The InChIKey is VTJBLMBTYDPKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O/c1-22(2,3)29-27-20-18(23)19(24-14-25-20)26-28-21(30)17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,17,29H,23H2,1-3H3,(H,28,30)(H2,24,25,26,27).
What are the key properties of N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide?
N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide has a molecular weight of 405.51 g/mol, XLogP of 3.05, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide is sourced from PubChem (CID 19152176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).