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

C16H13N5O5 — CID 22536768

IUPACN'-[6-(4-methylphenoxy)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
SMILESCc1ccc(Oc2ncnc(NNC(=O)c3ccco3)c2[N+](=O)[O-])cc1
InChIInChI=1S/C16H13N5O5/c1-10-4-6-11(7-5-10)26-16-13(21(23)24)14(17-9-18-16)19-20-15(22)12-3-2-8-25-12/h2-9H,1H3,(H,20,22)(H,17,18,19)
InChIKeyYPKAEZNSWAQQPD-UHFFFAOYSA-N
MW355.31 g/mol
LogP2.84
Rot. Bonds6

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

N'-[6-(4-methylphenoxy)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide (PubChem CID 22536768) has the molecular formula C16H13N5O5 and a molecular weight of 355.31 g/mol. Its IUPAC name is N'-[6-(4-methylphenoxy)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[6-(4-methylphenoxy)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
PubChem CID22536768
Molecular FormulaC16H13N5O5
Molecular Weight355.31 g/mol
Exact Mass355.09
IUPAC NameN'-[6-(4-methylphenoxy)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
SMILESCc1ccc(Oc2ncnc(NNC(=O)c3ccco3)c2[N+](=O)[O-])cc1
InChIInChI=1S/C16H13N5O5/c1-10-4-6-11(7-5-10)26-16-13(21(23)24)14(17-9-18-16)19-20-15(22)12-3-2-8-25-12/h2-9H,1H3,(H,20,22)(H,17,18,19)
InChIKeyYPKAEZNSWAQQPD-UHFFFAOYSA-N
XLogP2.84
TPSA132.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-methoxyphenoxy)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22536818
N'-[6-(4-chloro-3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22536778
N'-[6-(2,4-dimethylanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 23495475
N'-[6-(3,5-dimethylanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 23479503
N'-[6-(4-methylphenoxy)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22536971
N'-[6-(4-methoxyphenoxy)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide
CID 22537087
N'-[6-(3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]benzohydrazide
CID 23479243
N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22526553
N'-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22533943
N'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22532304
N'-[6-[2-(4-bromobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22535448
N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide
CID 22526845

Frequently Asked Questions

What is the IUPAC name of N'-[6-(4-methylphenoxy)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide?
The IUPAC name of N'-[6-(4-methylphenoxy)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide (CID 22536768) is N'-[6-(4-methylphenoxy)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[6-(4-methylphenoxy)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide?
The canonical SMILES for N'-[6-(4-methylphenoxy)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide is Cc1ccc(Oc2ncnc(NNC(=O)c3ccco3)c2[N+](=O)[O-])cc1.
What is the InChIKey of N'-[6-(4-methylphenoxy)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide?
The InChIKey is YPKAEZNSWAQQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O5/c1-10-4-6-11(7-5-10)26-16-13(21(23)24)14(17-9-18-16)19-20-15(22)12-3-2-8-25-12/h2-9H,1H3,(H,20,22)(H,17,18,19).
What are the key properties of N'-[6-(4-methylphenoxy)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide?
N'-[6-(4-methylphenoxy)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide has a molecular weight of 355.31 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(4-methylphenoxy)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide is sourced from PubChem (CID 22536768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).