6-(2,2-diphenylhydrazinyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5-diamine

C25H26N6 — CID 22539339

IUPAC6-(2,2-diphenylhydrazinyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
SMILESCCN(c1cccc(C)c1)c1ncnc(NN(c2ccccc2)c2ccccc2)c1N
InChIInChI=1S/C25H26N6/c1-3-30(22-16-10-11-19(2)17-22)25-23(26)24(27-18-28-25)29-31(20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-18H,3,26H2,1-2H3,(H,27,28,29)
InChIKeyDOEFIKOJVPGLRJ-UHFFFAOYSA-N
MW410.53 g/mol
LogP5.69
Rot. Bonds7

About 6-(2,2-diphenylhydrazinyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5-diamine

6-(2,2-diphenylhydrazinyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5-diamine (PubChem CID 22539339) has the molecular formula C25H26N6 and a molecular weight of 410.53 g/mol. Its IUPAC name is 6-(2,2-diphenylhydrazinyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(2,2-diphenylhydrazinyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
PubChem CID22539339
Molecular FormulaC25H26N6
Molecular Weight410.53 g/mol
Exact Mass410.22
IUPAC Name6-(2,2-diphenylhydrazinyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
SMILESCCN(c1cccc(C)c1)c1ncnc(NN(c2ccccc2)c2ccccc2)c1N
InChIInChI=1S/C25H26N6/c1-3-30(22-16-10-11-19(2)17-22)25-23(26)24(27-18-28-25)29-31(20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-18H,3,26H2,1-2H3,(H,27,28,29)
InChIKeyDOEFIKOJVPGLRJ-UHFFFAOYSA-N
XLogP5.69
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.53
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(2,2-diphenylhydrazinyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5-diamine with MolForge

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Related Compounds

6-N-benzyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539273
6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539266
N'-[5-amino-6-(N-ethyl-3-methylanilino)pyrimidin-4-yl]benzohydrazide
CID 22539377
4-N,6-N,6-N-triethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539276
4-N-ethyl-6-N-(4-fluorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539360
4-N-ethyl-6-N-(4-ethylphenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539248
6-N-(3-bromophenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539410
N-ethyl-6-hydrazinyl-5-methyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 80899461
4-N-ethyl-4-N-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 22539284
6-N-(5-chloro-2-methoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539256
dimethyl 5-[[5-amino-6-(N-ethyl-3-methylanilino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 22539264
4-N-ethyl-4-N-(3-methylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine
CID 22539280

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-diphenylhydrazinyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(2,2-diphenylhydrazinyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5-diamine (CID 22539339) is 6-(2,2-diphenylhydrazinyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(2,2-diphenylhydrazinyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(2,2-diphenylhydrazinyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5-diamine is CCN(c1cccc(C)c1)c1ncnc(NN(c2ccccc2)c2ccccc2)c1N.
What is the InChIKey of 6-(2,2-diphenylhydrazinyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5-diamine?
The InChIKey is DOEFIKOJVPGLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6/c1-3-30(22-16-10-11-19(2)17-22)25-23(26)24(27-18-28-25)29-31(20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-18H,3,26H2,1-2H3,(H,27,28,29).
What are the key properties of 6-(2,2-diphenylhydrazinyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5-diamine?
6-(2,2-diphenylhydrazinyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5-diamine has a molecular weight of 410.53 g/mol, XLogP of 5.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-diphenylhydrazinyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 22539339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).