N'-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)-2,2-diphenylacetohydrazide

C22H24N6O — CID 19137361

IUPACN'-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)-2,2-diphenylacetohydrazide
SMILESNc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1N1CCCC1
InChIInChI=1S/C22H24N6O/c23-19-20(24-15-25-21(19)28-13-7-8-14-28)26-27-22(29)18(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12,15,18H,7-8,13-14,23H2,(H,27,29)(H,24,25,26)
InChIKeyQOKUQSKTVJKXNB-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.93
Rot. Bonds6

About N'-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)-2,2-diphenylacetohydrazide

N'-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)-2,2-diphenylacetohydrazide (PubChem CID 19137361) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is N'-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)-2,2-diphenylacetohydrazide.

Molecular Properties

Compound NameN'-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)-2,2-diphenylacetohydrazide
PubChem CID19137361
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC NameN'-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)-2,2-diphenylacetohydrazide
SMILESNc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1N1CCCC1
InChIInChI=1S/C22H24N6O/c23-19-20(24-15-25-21(19)28-13-7-8-14-28)26-27-22(29)18(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12,15,18H,7-8,13-14,23H2,(H,27,29)(H,24,25,26)
InChIKeyQOKUQSKTVJKXNB-UHFFFAOYSA-N
XLogP2.93
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.93
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-(azepan-1-yl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19137910
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-pyrrolidin-1-ylpyrimidin-4-yl)-2,2-diphenylacetohydrazide?
The IUPAC name of N'-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)-2,2-diphenylacetohydrazide (CID 19137361) is N'-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)-2,2-diphenylacetohydrazide.
What is the SMILES notation for N'-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)-2,2-diphenylacetohydrazide?
The canonical SMILES for N'-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)-2,2-diphenylacetohydrazide is Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1N1CCCC1.
What is the InChIKey of N'-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)-2,2-diphenylacetohydrazide?
The InChIKey is QOKUQSKTVJKXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c23-19-20(24-15-25-21(19)28-13-7-8-14-28)26-27-22(29)18(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12,15,18H,7-8,13-14,23H2,(H,27,29)(H,24,25,26).
What are the key properties of N'-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)-2,2-diphenylacetohydrazide?
N'-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)-2,2-diphenylacetohydrazide has a molecular weight of 388.48 g/mol, XLogP of 2.93, 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-pyrrolidin-1-ylpyrimidin-4-yl)-2,2-diphenylacetohydrazide is sourced from PubChem (CID 19137361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).