6-(2,2-dimethylhydrazinyl)-N-(3-methylbutyl)-5-nitropyrimidin-4-amine

C11H20N6O2 — CID 22528158

IUPAC6-(2,2-dimethylhydrazinyl)-N-(3-methylbutyl)-5-nitropyrimidin-4-amine
SMILESCC(C)CCNc1ncnc(NN(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C11H20N6O2/c1-8(2)5-6-12-10-9(17(18)19)11(14-7-13-10)15-16(3)4/h7-8H,5-6H2,1-4H3,(H2,12,13,14,15)
InChIKeyHMJMSSIQXZULLZ-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.73
Rot. Bonds7

About 6-(2,2-dimethylhydrazinyl)-N-(3-methylbutyl)-5-nitropyrimidin-4-amine

6-(2,2-dimethylhydrazinyl)-N-(3-methylbutyl)-5-nitropyrimidin-4-amine (PubChem CID 22528158) has the molecular formula C11H20N6O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-(2,2-dimethylhydrazinyl)-N-(3-methylbutyl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,2-dimethylhydrazinyl)-N-(3-methylbutyl)-5-nitropyrimidin-4-amine
PubChem CID22528158
Molecular FormulaC11H20N6O2
Molecular Weight268.32 g/mol
Exact Mass268.16
IUPAC Name6-(2,2-dimethylhydrazinyl)-N-(3-methylbutyl)-5-nitropyrimidin-4-amine
SMILESCC(C)CCNc1ncnc(NN(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C11H20N6O2/c1-8(2)5-6-12-10-9(17(18)19)11(14-7-13-10)15-16(3)4/h7-8H,5-6H2,1-4H3,(H2,12,13,14,15)
InChIKeyHMJMSSIQXZULLZ-UHFFFAOYSA-N
XLogP1.73
TPSA96.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

6-(2,2-dimethylhydrazinyl)-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine
CID 22528115
4-N-butan-2-yl-6-N-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine
CID 22537941
N-butan-2-yl-6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-amine
CID 22528185
4-N-benzhydryl-6-N-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine
CID 22534558
N-benzyl-6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-amine
CID 23488119
6-(2-methoxyethoxy)-N-(3-methylbutyl)-5-nitropyrimidin-4-amine
CID 82455146
6-N-methyl-4-N-(3-methylsulfinylbutyl)-5-nitropyrimidine-4,6-diamine
CID 115715755
6-N-(3-methylbutyl)-5-nitro-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 23481612
6-N-(3-methylbutyl)-5-nitro-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 23481384
methyl 2-[[6-(3-methylbutylamino)-5-nitropyrimidin-4-yl]amino]benzoate
CID 22528840
6-chloro-N-(7-methyloctyl)-5-nitropyrimidin-4-amine
CID 107817575
N'-[6-(3-methylbutylamino)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide
CID 22537046

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylhydrazinyl)-N-(3-methylbutyl)-5-nitropyrimidin-4-amine?
The IUPAC name of 6-(2,2-dimethylhydrazinyl)-N-(3-methylbutyl)-5-nitropyrimidin-4-amine (CID 22528158) is 6-(2,2-dimethylhydrazinyl)-N-(3-methylbutyl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-(2,2-dimethylhydrazinyl)-N-(3-methylbutyl)-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-(2,2-dimethylhydrazinyl)-N-(3-methylbutyl)-5-nitropyrimidin-4-amine is CC(C)CCNc1ncnc(NN(C)C)c1[N+](=O)[O-].
What is the InChIKey of 6-(2,2-dimethylhydrazinyl)-N-(3-methylbutyl)-5-nitropyrimidin-4-amine?
The InChIKey is HMJMSSIQXZULLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O2/c1-8(2)5-6-12-10-9(17(18)19)11(14-7-13-10)15-16(3)4/h7-8H,5-6H2,1-4H3,(H2,12,13,14,15).
What are the key properties of 6-(2,2-dimethylhydrazinyl)-N-(3-methylbutyl)-5-nitropyrimidin-4-amine?
6-(2,2-dimethylhydrazinyl)-N-(3-methylbutyl)-5-nitropyrimidin-4-amine has a molecular weight of 268.32 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylhydrazinyl)-N-(3-methylbutyl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 22528158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).