N'-[6-(3,4-difluoroanilino)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide

C24H18F2N6O3 — CID 22536999

IUPACN'-[6-(3,4-difluoroanilino)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide
SMILESO=C(NNc1ncnc(Nc2ccc(F)c(F)c2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H18F2N6O3/c25-18-12-11-17(13-19(18)26)29-22-21(32(34)35)23(28-14-27-22)30-31-24(33)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,20H,(H,31,33)(H2,27,28,29,30)
InChIKeyIRMUEMRBMNWDEZ-UHFFFAOYSA-N
MW476.44 g/mol
LogP4.68
Rot. Bonds8

About N'-[6-(3,4-difluoroanilino)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide

N'-[6-(3,4-difluoroanilino)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide (PubChem CID 22536999) has the molecular formula C24H18F2N6O3 and a molecular weight of 476.44 g/mol. Its IUPAC name is N'-[6-(3,4-difluoroanilino)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide.

Molecular Properties

Compound NameN'-[6-(3,4-difluoroanilino)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide
PubChem CID22536999
Molecular FormulaC24H18F2N6O3
Molecular Weight476.44 g/mol
Exact Mass476.14
IUPAC NameN'-[6-(3,4-difluoroanilino)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide
SMILESO=C(NNc1ncnc(Nc2ccc(F)c(F)c2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H18F2N6O3/c25-18-12-11-17(13-19(18)26)29-22-21(32(34)35)23(28-14-27-22)30-31-24(33)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,20H,(H,31,33)(H2,27,28,29,30)
InChIKeyIRMUEMRBMNWDEZ-UHFFFAOYSA-N
XLogP4.68
TPSA122.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.44
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[6-(4-fluoroanilino)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22533315
N'-[6-(3-bromoanilino)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22536977
N'-[6-(4-bromo-2-fluoroanilino)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22536976
6-N-(3,4-difluorophenyl)-5-nitro-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 22528316
N'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22531084
N'-[6-(2-methylanilino)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22531951
4-N-(3-chloro-4-fluorophenyl)-6-N-(3,4-difluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22537882
N'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22532307
2-chloro-N'-[6-(3-chloro-4-fluoroanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22535876
N'-[6-[2-(2,2-diphenylacetyl)hydrazinyl]-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide
CID 22536019
N-(3,4-difluorophenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine
CID 22530733
6-N-(3,4-difluorophenyl)-5-nitro-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 23487631

Frequently Asked Questions

What is the IUPAC name of N'-[6-(3,4-difluoroanilino)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide?
The IUPAC name of N'-[6-(3,4-difluoroanilino)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide (CID 22536999) is N'-[6-(3,4-difluoroanilino)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide.
What is the SMILES notation for N'-[6-(3,4-difluoroanilino)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide?
The canonical SMILES for N'-[6-(3,4-difluoroanilino)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide is O=C(NNc1ncnc(Nc2ccc(F)c(F)c2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1.
What is the InChIKey of N'-[6-(3,4-difluoroanilino)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide?
The InChIKey is IRMUEMRBMNWDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N6O3/c25-18-12-11-17(13-19(18)26)29-22-21(32(34)35)23(28-14-27-22)30-31-24(33)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,20H,(H,31,33)(H2,27,28,29,30).
What are the key properties of N'-[6-(3,4-difluoroanilino)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide?
N'-[6-(3,4-difluoroanilino)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide has a molecular weight of 476.44 g/mol, XLogP of 4.68, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(3,4-difluoroanilino)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide is sourced from PubChem (CID 22536999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).