4-(4-benzylpiperidin-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine

C28H30N6 — CID 19139445

IUPAC4-(4-benzylpiperidin-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine
SMILESNc1c(NN(c2ccccc2)c2ccccc2)ncnc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C28H30N6/c29-26-27(32-34(24-12-6-2-7-13-24)25-14-8-3-9-15-25)30-21-31-28(26)33-18-16-23(17-19-33)20-22-10-4-1-5-11-22/h1-15,21,23H,16-20,29H2,(H,30,31,32)
InChIKeyBDROCDSIHFXJAU-UHFFFAOYSA-N
MW450.59 g/mol
LogP5.68
Rot. Bonds7

About 4-(4-benzylpiperidin-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine

4-(4-benzylpiperidin-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine (PubChem CID 19139445) has the molecular formula C28H30N6 and a molecular weight of 450.59 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine
PubChem CID19139445
Molecular FormulaC28H30N6
Molecular Weight450.59 g/mol
Exact Mass450.25
IUPAC Name4-(4-benzylpiperidin-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine
SMILESNc1c(NN(c2ccccc2)c2ccccc2)ncnc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C28H30N6/c29-26-27(32-34(24-12-6-2-7-13-24)25-14-8-3-9-15-25)30-21-31-28(26)33-18-16-23(17-19-33)20-22-10-4-1-5-11-22/h1-15,21,23H,16-20,29H2,(H,30,31,32)
InChIKeyBDROCDSIHFXJAU-UHFFFAOYSA-N
XLogP5.68
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.59
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-[5-amino-6-(2,2-diphenylhydrazinyl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19146669
6-(4-benzylpiperidin-1-yl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine
CID 22544274
6-(4-benzylpiperidin-1-yl)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine
CID 19139421
4-(4-benzylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-5-amine
CID 19137622
N'-[5-amino-6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]pyridine-2-carbohydrazide
CID 19139500
4-(4-benzylpiperidin-1-yl)-6-phenoxypyrimidin-5-amine
CID 19139509
1-[3-[[5-amino-6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547393
4-(4-benzylpiperidin-1-yl)pyrimidin-5-amine
CID 79918295
4-(2,2-diphenylhydrazinyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-5-amine
CID 19138923
4-(4-benzylpiperidin-1-yl)quinazoline
CID 1413843
4-(2,3-dihydroindol-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine
CID 22543232
ethyl 3-[[5-amino-6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]amino]benzoate
CID 19139525

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidin-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine (CID 19139445) is 4-(4-benzylpiperidin-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine is Nc1c(NN(c2ccccc2)c2ccccc2)ncnc1N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine?
The InChIKey is BDROCDSIHFXJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6/c29-26-27(32-34(24-12-6-2-7-13-24)25-14-8-3-9-15-25)30-21-31-28(26)33-18-16-23(17-19-33)20-22-10-4-1-5-11-22/h1-15,21,23H,16-20,29H2,(H,30,31,32).
What are the key properties of 4-(4-benzylpiperidin-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine?
4-(4-benzylpiperidin-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine has a molecular weight of 450.59 g/mol, XLogP of 5.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidin-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine is sourced from PubChem (CID 19139445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).