2-N-ethyl-2-N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine

C11H21N7O2 — CID 103192603

IUPAC2-N-ethyl-2-N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(c1ncnc(NN)c1[N+](=O)[O-])C(C)CN(C)C
InChIInChI=1S/C11H21N7O2/c1-5-17(8(2)6-16(3)4)11-9(18(19)20)10(15-12)13-7-14-11/h7-8H,5-6,12H2,1-4H3,(H,13,14,15)
InChIKeyODVJBTAUSIESQQ-UHFFFAOYSA-N
MW283.34 g/mol
LogP0.45
Rot. Bonds7

About 2-N-ethyl-2-N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine

2-N-ethyl-2-N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 103192603) has the molecular formula C11H21N7O2 and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID103192603
Molecular FormulaC11H21N7O2
Molecular Weight283.34 g/mol
Exact Mass283.18
IUPAC Name2-N-ethyl-2-N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(c1ncnc(NN)c1[N+](=O)[O-])C(C)CN(C)C
InChIInChI=1S/C11H21N7O2/c1-5-17(8(2)6-16(3)4)11-9(18(19)20)10(15-12)13-7-14-11/h7-8H,5-6,12H2,1-4H3,(H,13,14,15)
InChIKeyODVJBTAUSIESQQ-UHFFFAOYSA-N
XLogP0.45
TPSA113.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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'}

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Related Compounds

6-hydrazinyl-N-(2-methylpropyl)-5-nitro-N-pentan-3-ylpyrimidin-4-amine
CID 80929018
6-hydrazinyl-N,N-bis(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 23493001
6-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methyl-5-nitropyrimidin-4-amine
CID 80896203
N-(cyclopropylmethyl)-6-hydrazinyl-5-nitro-N-propan-2-ylpyrimidin-4-amine
CID 80905380
2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 80905174
N-ethyl-6-hydrazinyl-5-nitro-N-propylpyrimidin-4-amine
CID 80943828
N-cyclopropyl-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine
CID 80944111
6-hydrazinyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-nitropyrimidin-4-amine
CID 112668063
2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]ethanol
CID 80943199
4-N-butan-2-yl-4-N-ethyl-5-nitropyrimidine-4,6-diamine
CID 80784628
3-[ethyl-(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]propanenitrile
CID 80905442
6-N-methyl-4-N-(2-methylpropyl)-5-nitro-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80820646

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine (CID 103192603) is 2-N-ethyl-2-N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine is CCN(c1ncnc(NN)c1[N+](=O)[O-])C(C)CN(C)C.
What is the InChIKey of 2-N-ethyl-2-N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is ODVJBTAUSIESQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N7O2/c1-5-17(8(2)6-16(3)4)11-9(18(19)20)10(15-12)13-7-14-11/h7-8H,5-6,12H2,1-4H3,(H,13,14,15).
What are the key properties of 2-N-ethyl-2-N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-ethyl-2-N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 283.34 g/mol, XLogP of 0.45, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103192603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).