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

C26H26N6O2 — CID 22541949

IUPACN'-[5-amino-6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
SMILESCOc1ccc(C)cc1Nc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1N
InChIInChI=1S/C26H26N6O2/c1-17-13-14-21(34-2)20(15-17)30-24-23(27)25(29-16-28-24)31-32-26(33)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16,22H,27H2,1-2H3,(H,32,33)(H2,28,29,30,31)
InChIKeyOBJXYPWDFJQVDK-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.39
Rot. Bonds8

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

N'-[5-amino-6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide (PubChem CID 22541949) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is N'-[5-amino-6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
PubChem CID22541949
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC NameN'-[5-amino-6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
SMILESCOc1ccc(C)cc1Nc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1N
InChIInChI=1S/C26H26N6O2/c1-17-13-14-21(34-2)20(15-17)30-24-23(27)25(29-16-28-24)31-32-26(33)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16,22H,27H2,1-2H3,(H,32,33)(H2,28,29,30,31)
InChIKeyOBJXYPWDFJQVDK-UHFFFAOYSA-N
XLogP4.39
TPSA114.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.39
H-Bond Donors ≤ 54
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-(2,5-dimethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22547096
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-phenoxyacetohydrazide
CID 22541951
N'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22532307
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'-[5-amino-6-(2,5-dimethoxyanilino)pyrimidin-4-yl]benzohydrazide
CID 19142733
N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19152176
N'-(5-amino-6-ethoxypyrimidin-4-yl)-2,2-diphenylacetohydrazide
CID 19152171
methyl 4-[[5-amino-6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]amino]benzoate
CID 22541916
6-N-(2,3-dimethylphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541866

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide?
The IUPAC name of N'-[5-amino-6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide (CID 22541949) is N'-[5-amino-6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide.
What is the SMILES notation for N'-[5-amino-6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide?
The canonical SMILES for N'-[5-amino-6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide is COc1ccc(C)cc1Nc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1N.
What is the InChIKey of N'-[5-amino-6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide?
The InChIKey is OBJXYPWDFJQVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c1-17-13-14-21(34-2)20(15-17)30-24-23(27)25(29-16-28-24)31-32-26(33)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/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-methoxy-5-methylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide?
N'-[5-amino-6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide has a molecular weight of 454.53 g/mol, XLogP of 4.39, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide is sourced from PubChem (CID 22541949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).