N'-[5-amino-6-(azepan-1-yl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide

C24H28N6O — CID 19137910

IUPACN'-[5-amino-6-(azepan-1-yl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
SMILESNc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1N1CCCCCC1
InChIInChI=1S/C24H28N6O/c25-21-22(26-17-27-23(21)30-15-9-1-2-10-16-30)28-29-24(31)20(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,17,20H,1-2,9-10,15-16,25H2,(H,29,31)(H,26,27,28)
InChIKeyZZFQKJDCKFQPCD-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.71
Rot. Bonds6

About N'-[5-amino-6-(azepan-1-yl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide

N'-[5-amino-6-(azepan-1-yl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide (PubChem CID 19137910) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is N'-[5-amino-6-(azepan-1-yl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(azepan-1-yl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
PubChem CID19137910
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC NameN'-[5-amino-6-(azepan-1-yl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
SMILESNc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1N1CCCCCC1
InChIInChI=1S/C24H28N6O/c25-21-22(26-17-27-23(21)30-15-9-1-2-10-16-30)28-29-24(31)20(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,17,20H,1-2,9-10,15-16,25H2,(H,29,31)(H,26,27,28)
InChIKeyZZFQKJDCKFQPCD-UHFFFAOYSA-N
XLogP3.71
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.71
H-Bond Donors ≤ 53
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-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-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19139156
N'-[5-amino-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19152192
N'-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)-2-chlorobenzohydrazide
CID 19137533
N'-[5-amino-6-(2,2-dimethylhydrazinyl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19145603
N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19152176
N'-[5-amino-6-(2,3-dichloroanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19146878
1-[6-[2-(2,2-diphenylacetyl)hydrazinyl]-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid
CID 22537017
N'-[6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 23490177
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19145201
N'-(5-amino-6-ethoxypyrimidin-4-yl)-2,2-diphenylacetohydrazide
CID 19152171

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(azepan-1-yl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide?
The IUPAC name of N'-[5-amino-6-(azepan-1-yl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide (CID 19137910) is N'-[5-amino-6-(azepan-1-yl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide.
What is the SMILES notation for N'-[5-amino-6-(azepan-1-yl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide?
The canonical SMILES for N'-[5-amino-6-(azepan-1-yl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide is Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1N1CCCCCC1.
What is the InChIKey of N'-[5-amino-6-(azepan-1-yl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide?
The InChIKey is ZZFQKJDCKFQPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c25-21-22(26-17-27-23(21)30-15-9-1-2-10-16-30)28-29-24(31)20(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,17,20H,1-2,9-10,15-16,25H2,(H,29,31)(H,26,27,28).
What are the key properties of N'-[5-amino-6-(azepan-1-yl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide?
N'-[5-amino-6-(azepan-1-yl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide has a molecular weight of 416.53 g/mol, XLogP of 3.71, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(azepan-1-yl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide is sourced from PubChem (CID 19137910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).