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

C26H26N6O — CID 22547096

IUPACN'-[5-amino-6-(2,5-dimethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
SMILESCc1ccc(C)c(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2N)c1
InChIInChI=1S/C26H26N6O/c1-17-13-14-18(2)21(15-17)30-24-23(27)25(29-16-28-24)31-32-26(33)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,22H,27H2,1-2H3,(H,32,33)(H2,28,29,30,31)
InChIKeyPKDRZUAFCCQNOR-UHFFFAOYSA-N
MW438.54 g/mol
LogP4.69
Rot. Bonds7

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

N'-[5-amino-6-(2,5-dimethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide (PubChem CID 22547096) has the molecular formula C26H26N6O and a molecular weight of 438.54 g/mol. Its IUPAC name is N'-[5-amino-6-(2,5-dimethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(2,5-dimethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
PubChem CID22547096
Molecular FormulaC26H26N6O
Molecular Weight438.54 g/mol
Exact Mass438.22
IUPAC NameN'-[5-amino-6-(2,5-dimethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
SMILESCc1ccc(C)c(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2N)c1
InChIInChI=1S/C26H26N6O/c1-17-13-14-18(2)21(15-17)30-24-23(27)25(29-16-28-24)31-32-26(33)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,22H,27H2,1-2H3,(H,32,33)(H2,28,29,30,31)
InChIKeyPKDRZUAFCCQNOR-UHFFFAOYSA-N
XLogP4.69
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 54.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19143355
N'-[5-amino-6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22541949
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19145201
N'-[5-amino-6-(2,2-dimethylhydrazinyl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19145603
N'-[5-amino-6-(2,3-dichloroanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19146878
N'-[6-(2-methylanilino)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22531951
N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19152176
N'-[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22539870
6-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547049
N'-[5-amino-6-(4-chloro-3,5-dimethylphenoxy)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19152184
N'-(5-amino-6-ethoxypyrimidin-4-yl)-2,2-diphenylacetohydrazide
CID 19152171
6-N-(2,4-dimethylphenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547014

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(2,5-dimethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide?
The IUPAC name of N'-[5-amino-6-(2,5-dimethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide (CID 22547096) is N'-[5-amino-6-(2,5-dimethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide.
What is the SMILES notation for N'-[5-amino-6-(2,5-dimethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide?
The canonical SMILES for N'-[5-amino-6-(2,5-dimethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide is Cc1ccc(C)c(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2N)c1.
What is the InChIKey of N'-[5-amino-6-(2,5-dimethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide?
The InChIKey is PKDRZUAFCCQNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O/c1-17-13-14-18(2)21(15-17)30-24-23(27)25(29-16-28-24)31-32-26(33)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,22H,27H2,1-2H3,(H,32,33)(H2,28,29,30,31).
What are the key properties of N'-[5-amino-6-(2,5-dimethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide?
N'-[5-amino-6-(2,5-dimethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide has a molecular weight of 438.54 g/mol, XLogP of 4.69, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(2,5-dimethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide is sourced from PubChem (CID 22547096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).