N-ethyl-6-hydrazinyl-5-nitro-N-propylpyrimidin-4-amine

C9H16N6O2 — CID 80943828

IUPACN-ethyl-6-hydrazinyl-5-nitro-N-propylpyrimidin-4-amine
SMILESCCCN(CC)c1ncnc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C9H16N6O2/c1-3-5-14(4-2)9-7(15(16)17)8(13-10)11-6-12-9/h6H,3-5,10H2,1-2H3,(H,11,12,13)
InChIKeyUUUUZUCVJMEVKB-UHFFFAOYSA-N
MW240.27 g/mol
LogP0.91
Rot. Bonds6

About N-ethyl-6-hydrazinyl-5-nitro-N-propylpyrimidin-4-amine

N-ethyl-6-hydrazinyl-5-nitro-N-propylpyrimidin-4-amine (PubChem CID 80943828) has the molecular formula C9H16N6O2 and a molecular weight of 240.27 g/mol. Its IUPAC name is N-ethyl-6-hydrazinyl-5-nitro-N-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-hydrazinyl-5-nitro-N-propylpyrimidin-4-amine
PubChem CID80943828
Molecular FormulaC9H16N6O2
Molecular Weight240.27 g/mol
Exact Mass240.13
IUPAC NameN-ethyl-6-hydrazinyl-5-nitro-N-propylpyrimidin-4-amine
SMILESCCCN(CC)c1ncnc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C9H16N6O2/c1-3-5-14(4-2)9-7(15(16)17)8(13-10)11-6-12-9/h6H,3-5,10H2,1-2H3,(H,11,12,13)
InChIKeyUUUUZUCVJMEVKB-UHFFFAOYSA-N
XLogP0.91
TPSA110.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-ethyl-6-hydrazinyl-5-nitro-N-propylpyrimidin-4-amine 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

3-[ethyl-(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]propanenitrile
CID 80905442
4-N,6-N-diethyl-5-nitro-4-N-propylpyrimidine-4,6-diamine
CID 80773861
6-hydrazinyl-N,N-bis(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 23493001
N-ethyl-6-hydrazinyl-5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80896019
2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]ethanol
CID 80943199
N,N-bis(cyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80905890
2-N-ethyl-2-N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 103192603
2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 80905174
3-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]propanenitrile
CID 80916272
6-hydrazinyl-N-(2-methylpropyl)-5-nitro-N-pentan-3-ylpyrimidin-4-amine
CID 80929018
6-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methyl-5-nitropyrimidin-4-amine
CID 80896203
N-cyclopropyl-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine
CID 80944111

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-hydrazinyl-5-nitro-N-propylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-hydrazinyl-5-nitro-N-propylpyrimidin-4-amine (CID 80943828) is N-ethyl-6-hydrazinyl-5-nitro-N-propylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-hydrazinyl-5-nitro-N-propylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-hydrazinyl-5-nitro-N-propylpyrimidin-4-amine is CCCN(CC)c1ncnc(NN)c1[N+](=O)[O-].
What is the InChIKey of N-ethyl-6-hydrazinyl-5-nitro-N-propylpyrimidin-4-amine?
The InChIKey is UUUUZUCVJMEVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O2/c1-3-5-14(4-2)9-7(15(16)17)8(13-10)11-6-12-9/h6H,3-5,10H2,1-2H3,(H,11,12,13).
What are the key properties of N-ethyl-6-hydrazinyl-5-nitro-N-propylpyrimidin-4-amine?
N-ethyl-6-hydrazinyl-5-nitro-N-propylpyrimidin-4-amine has a molecular weight of 240.27 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-hydrazinyl-5-nitro-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80943828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).