N'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]-2-phenoxyacetohydrazide

C19H18N6O5 — CID 22532309

IUPACN'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]-2-phenoxyacetohydrazide
SMILESCOc1ccccc1Nc1ncnc(NNC(=O)COc2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C19H18N6O5/c1-29-15-10-6-5-9-14(15)22-18-17(25(27)28)19(21-12-20-18)24-23-16(26)11-30-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,23,26)(H2,20,21,22,24)
InChIKeyVADNOAIWNZWYTM-UHFFFAOYSA-N
MW410.39 g/mol
LogP2.66
Rot. Bonds9

About N'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]-2-phenoxyacetohydrazide

N'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]-2-phenoxyacetohydrazide (PubChem CID 22532309) has the molecular formula C19H18N6O5 and a molecular weight of 410.39 g/mol. Its IUPAC name is N'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]-2-phenoxyacetohydrazide.

Molecular Properties

Compound NameN'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]-2-phenoxyacetohydrazide
PubChem CID22532309
Molecular FormulaC19H18N6O5
Molecular Weight410.39 g/mol
Exact Mass410.13
IUPAC NameN'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]-2-phenoxyacetohydrazide
SMILESCOc1ccccc1Nc1ncnc(NNC(=O)COc2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C19H18N6O5/c1-29-15-10-6-5-9-14(15)22-18-17(25(27)28)19(21-12-20-18)24-23-16(26)11-30-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,23,26)(H2,20,21,22,24)
InChIKeyVADNOAIWNZWYTM-UHFFFAOYSA-N
XLogP2.66
TPSA140.54 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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-(2-ethylanilino)-5-nitropyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 23482730
N'-[6-(2-fluoroanilino)-5-nitropyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22527721
N'-[6-[(2-chloro-3-pyridinyl)amino]-5-nitropyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22537149
N'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22532307
N'-[5-nitro-6-(propan-2-ylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 23487598
N'-[5-nitro-6-(propylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 23487398
4-N-(2-methoxyphenyl)-5-nitro-6-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine
CID 22532353
N'-[5-nitro-6-(4-propan-2-ylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 23486595
4-methyl-N'-[5-nitro-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 22535099
N'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22532304
N'-[5-amino-6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22541951
4-nitro-N'-[5-nitro-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 22535699

Frequently Asked Questions

What is the IUPAC name of N'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]-2-phenoxyacetohydrazide?
The IUPAC name of N'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]-2-phenoxyacetohydrazide (CID 22532309) is N'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]-2-phenoxyacetohydrazide.
What is the SMILES notation for N'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]-2-phenoxyacetohydrazide?
The canonical SMILES for N'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]-2-phenoxyacetohydrazide is COc1ccccc1Nc1ncnc(NNC(=O)COc2ccccc2)c1[N+](=O)[O-].
What is the InChIKey of N'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]-2-phenoxyacetohydrazide?
The InChIKey is VADNOAIWNZWYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O5/c1-29-15-10-6-5-9-14(15)22-18-17(25(27)28)19(21-12-20-18)24-23-16(26)11-30-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,23,26)(H2,20,21,22,24).
What are the key properties of N'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]-2-phenoxyacetohydrazide?
N'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]-2-phenoxyacetohydrazide has a molecular weight of 410.39 g/mol, XLogP of 2.66, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]-2-phenoxyacetohydrazide is sourced from PubChem (CID 22532309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).