N'-[6-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]benzohydrazide

C16H14N6O4 — CID 22528666

IUPACN'-[6-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]benzohydrazide
SMILESO=C(NNc1ncnc(NCc2ccco2)c1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C16H14N6O4/c23-16(11-5-2-1-3-6-11)21-20-15-13(22(24)25)14(18-10-19-15)17-9-12-7-4-8-26-12/h1-8,10H,9H2,(H,21,23)(H2,17,18,19,20)
InChIKeyKBEYRCRUNKHZBB-UHFFFAOYSA-N
MW354.33 g/mol
LogP2.35
Rot. Bonds7

About N'-[6-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]benzohydrazide

N'-[6-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]benzohydrazide (PubChem CID 22528666) has the molecular formula C16H14N6O4 and a molecular weight of 354.33 g/mol. Its IUPAC name is N'-[6-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]benzohydrazide.

Molecular Properties

Compound NameN'-[6-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]benzohydrazide
PubChem CID22528666
Molecular FormulaC16H14N6O4
Molecular Weight354.33 g/mol
Exact Mass354.11
IUPAC NameN'-[6-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]benzohydrazide
SMILESO=C(NNc1ncnc(NCc2ccco2)c1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C16H14N6O4/c23-16(11-5-2-1-3-6-11)21-20-15-13(22(24)25)14(18-10-19-15)17-9-12-7-4-8-26-12/h1-8,10H,9H2,(H,21,23)(H2,17,18,19,20)
InChIKeyKBEYRCRUNKHZBB-UHFFFAOYSA-N
XLogP2.35
TPSA135.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.35
H-Bond Donors ≤ 53
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'}

Analyze N'-[6-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N'-[6-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22528671
6-N-(furan-2-ylmethyl)-5-nitro-4-N-phenylpyrimidine-4,6-diamine
CID 22528636
N'-[6-(benzylamino)-5-nitropyrimidin-4-yl]-4-fluorobenzohydrazide
CID 23488172
N'-[6-[(2-chlorophenyl)methylamino]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22536805
N'-[6-(hexadecylamino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 23494500
N'-[6-(2-benzoylhydrazinyl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 22535003
6-N-[(4-chlorophenyl)methyl]-4-N-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine
CID 22528665
N'-[6-[2-(4-bromobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22535448
6-N-(furan-2-ylmethyl)-4-N-methyl-5-nitro-4-N-phenylpyrimidine-4,6-diamine
CID 22526926
N'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]benzohydrazide
CID 22531059
N'-[6-(2-chloroanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22532046
N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 22526827

Frequently Asked Questions

What is the IUPAC name of N'-[6-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]benzohydrazide?
The IUPAC name of N'-[6-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]benzohydrazide (CID 22528666) is N'-[6-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]benzohydrazide.
What is the SMILES notation for N'-[6-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]benzohydrazide?
The canonical SMILES for N'-[6-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]benzohydrazide is O=C(NNc1ncnc(NCc2ccco2)c1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of N'-[6-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]benzohydrazide?
The InChIKey is KBEYRCRUNKHZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O4/c23-16(11-5-2-1-3-6-11)21-20-15-13(22(24)25)14(18-10-19-15)17-9-12-7-4-8-26-12/h1-8,10H,9H2,(H,21,23)(H2,17,18,19,20).
What are the key properties of N'-[6-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]benzohydrazide?
N'-[6-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]benzohydrazide has a molecular weight of 354.33 g/mol, XLogP of 2.35, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]benzohydrazide is sourced from PubChem (CID 22528666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).