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

C16H14N6O5 — CID 22532304

IUPACN'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
SMILESCOc1ccccc1Nc1ncnc(NNC(=O)c2ccco2)c1[N+](=O)[O-]
InChIInChI=1S/C16H14N6O5/c1-26-11-6-3-2-5-10(11)19-14-13(22(24)25)15(18-9-17-14)20-21-16(23)12-7-4-8-27-12/h2-9H,1H3,(H,21,23)(H2,17,18,19,20)
InChIKeyGXFRRFINZGKYRL-UHFFFAOYSA-N
MW370.33 g/mol
LogP2.49
Rot. Bonds7

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

N'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide (PubChem CID 22532304) has the molecular formula C16H14N6O5 and a molecular weight of 370.33 g/mol. Its IUPAC name is N'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
PubChem CID22532304
Molecular FormulaC16H14N6O5
Molecular Weight370.33 g/mol
Exact Mass370.10
IUPAC NameN'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
SMILESCOc1ccccc1Nc1ncnc(NNC(=O)c2ccco2)c1[N+](=O)[O-]
InChIInChI=1S/C16H14N6O5/c1-26-11-6-3-2-5-10(11)19-14-13(22(24)25)15(18-9-17-14)20-21-16(23)12-7-4-8-27-12/h2-9H,1H3,(H,21,23)(H2,17,18,19,20)
InChIKeyGXFRRFINZGKYRL-UHFFFAOYSA-N
XLogP2.49
TPSA144.45 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 52.49
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-(3-chloro-2-methylanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 23484051
N'-[6-(2,4-dimethylanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 23495475
N'-[6-(2,4-difluoroanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22536795
N'-[6-(3,5-dimethylanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 23479503
dimethyl 5-[[6-[2-(furan-2-carbonyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 23486384
N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22526553
N'-[6-(4-methoxyphenoxy)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22536818
N'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22532309
N'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22532307
N'-[6-(cyclopentylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22536797
4-[[6-[2-(furan-2-carbonyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzoic acid
CID 22536812
N'-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22533943

Frequently Asked Questions

What is the IUPAC name of N'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide?
The IUPAC name of N'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide (CID 22532304) is N'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide?
The canonical SMILES for N'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide is COc1ccccc1Nc1ncnc(NNC(=O)c2ccco2)c1[N+](=O)[O-].
What is the InChIKey of N'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide?
The InChIKey is GXFRRFINZGKYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O5/c1-26-11-6-3-2-5-10(11)19-14-13(22(24)25)15(18-9-17-14)20-21-16(23)12-7-4-8-27-12/h2-9H,1H3,(H,21,23)(H2,17,18,19,20).
What are the key properties of N'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide?
N'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide has a molecular weight of 370.33 g/mol, XLogP of 2.49, 7 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]furan-2-carbohydrazide is sourced from PubChem (CID 22532304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).