6-hydrazinyl-N,N-bis(2-methylpropyl)-5-nitropyrimidin-4-amine

C12H22N6O2 — CID 23493001

IUPAC6-hydrazinyl-N,N-bis(2-methylpropyl)-5-nitropyrimidin-4-amine
SMILESCC(C)CN(CC(C)C)c1ncnc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C12H22N6O2/c1-8(2)5-17(6-9(3)4)12-10(18(19)20)11(16-13)14-7-15-12/h7-9H,5-6,13H2,1-4H3,(H,14,15,16)
InChIKeyZYUPBJWEIVCIOS-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.79
Rot. Bonds7

About 6-hydrazinyl-N,N-bis(2-methylpropyl)-5-nitropyrimidin-4-amine

6-hydrazinyl-N,N-bis(2-methylpropyl)-5-nitropyrimidin-4-amine (PubChem CID 23493001) has the molecular formula C12H22N6O2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 6-hydrazinyl-N,N-bis(2-methylpropyl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N,N-bis(2-methylpropyl)-5-nitropyrimidin-4-amine
PubChem CID23493001
Molecular FormulaC12H22N6O2
Molecular Weight282.35 g/mol
Exact Mass282.18
IUPAC Name6-hydrazinyl-N,N-bis(2-methylpropyl)-5-nitropyrimidin-4-amine
SMILESCC(C)CN(CC(C)C)c1ncnc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C12H22N6O2/c1-8(2)5-17(6-9(3)4)12-10(18(19)20)11(16-13)14-7-15-12/h7-9H,5-6,13H2,1-4H3,(H,14,15,16)
InChIKeyZYUPBJWEIVCIOS-UHFFFAOYSA-N
XLogP1.79
TPSA110.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.79
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'}

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Related Compounds

6-hydrazinyl-N-(2-methylpropyl)-5-nitro-N-pentan-3-ylpyrimidin-4-amine
CID 80929018
N-ethyl-6-hydrazinyl-5-nitro-N-propylpyrimidin-4-amine
CID 80943828
2-N-ethyl-2-N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 103192603
N,N-bis(2-methylpropyl)-5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine
CID 23492946
N,N-bis(cyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80905890
6-N-(2-chlorophenyl)-4-N,4-N-bis(2-methylpropyl)-5-nitropyrimidine-4,6-diamine
CID 23492976
6-hydrazinyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 80932931
3-[ethyl-(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]propanenitrile
CID 80905442
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
6-N-methyl-4-N-(2-methylpropyl)-5-nitro-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80820646
N-(cyclopropylmethyl)-6-hydrazinyl-5-nitro-N-propan-2-ylpyrimidin-4-amine
CID 80905380

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N,N-bis(2-methylpropyl)-5-nitropyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N,N-bis(2-methylpropyl)-5-nitropyrimidin-4-amine (CID 23493001) is 6-hydrazinyl-N,N-bis(2-methylpropyl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N,N-bis(2-methylpropyl)-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N,N-bis(2-methylpropyl)-5-nitropyrimidin-4-amine is CC(C)CN(CC(C)C)c1ncnc(NN)c1[N+](=O)[O-].
What is the InChIKey of 6-hydrazinyl-N,N-bis(2-methylpropyl)-5-nitropyrimidin-4-amine?
The InChIKey is ZYUPBJWEIVCIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O2/c1-8(2)5-17(6-9(3)4)12-10(18(19)20)11(16-13)14-7-15-12/h7-9H,5-6,13H2,1-4H3,(H,14,15,16).
What are the key properties of 6-hydrazinyl-N,N-bis(2-methylpropyl)-5-nitropyrimidin-4-amine?
6-hydrazinyl-N,N-bis(2-methylpropyl)-5-nitropyrimidin-4-amine has a molecular weight of 282.35 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N,N-bis(2-methylpropyl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 23493001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).