N-butan-2-yl-6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-amine

C10H18N6O2 — CID 22528185

IUPACN-butan-2-yl-6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-amine
SMILESCCC(C)Nc1ncnc(NN(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C10H18N6O2/c1-5-7(2)13-9-8(16(17)18)10(12-6-11-9)14-15(3)4/h6-7H,5H2,1-4H3,(H2,11,12,13,14)
InChIKeyALWUFOXFTXURKI-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.48
Rot. Bonds6

About N-butan-2-yl-6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-amine

N-butan-2-yl-6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-amine (PubChem CID 22528185) has the molecular formula C10H18N6O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-butan-2-yl-6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-amine
PubChem CID22528185
Molecular FormulaC10H18N6O2
Molecular Weight254.29 g/mol
Exact Mass254.15
IUPAC NameN-butan-2-yl-6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-amine
SMILESCCC(C)Nc1ncnc(NN(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C10H18N6O2/c1-5-7(2)13-9-8(16(17)18)10(12-6-11-9)14-15(3)4/h6-7H,5H2,1-4H3,(H2,11,12,13,14)
InChIKeyALWUFOXFTXURKI-UHFFFAOYSA-N
XLogP1.48
TPSA96.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.48
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

4-N-butan-2-yl-6-N-ethyl-5-nitropyrimidine-4,6-diamine
CID 23487237
N-butan-2-yl-6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-amine
CID 22537563
4-N-butan-2-yl-6-N-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine
CID 22537941
6-(2,2-dimethylhydrazinyl)-N-(3-methylbutyl)-5-nitropyrimidin-4-amine
CID 22528158
N-butan-2-yl-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine
CID 22526890
4-N-[1-(diethylamino)propan-2-yl]-6-N-ethyl-5-nitropyrimidine-4,6-diamine
CID 80795062
N-butan-2-yl-5-nitro-6-phenoxypyrimidin-4-amine
CID 22537387
6-(2,2-dimethylhydrazinyl)-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine
CID 22528115
N'-[6-(butan-2-ylamino)-5-nitropyrimidin-4-yl]-4-methylbenzohydrazide
CID 22535140
4-N-(4-methylhexan-2-yl)-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 80829684
N-butan-2-yl-6-(4-methoxyphenoxy)-5-nitropyrimidin-4-amine
CID 22538940
methyl 2-[[6-(butan-2-ylamino)-5-nitropyrimidin-4-yl]-methylamino]benzoate
CID 22538851

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-amine?
The IUPAC name of N-butan-2-yl-6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-amine (CID 22528185) is N-butan-2-yl-6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-butan-2-yl-6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-amine?
The canonical SMILES for N-butan-2-yl-6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-amine is CCC(C)Nc1ncnc(NN(C)C)c1[N+](=O)[O-].
What is the InChIKey of N-butan-2-yl-6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-amine?
The InChIKey is ALWUFOXFTXURKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O2/c1-5-7(2)13-9-8(16(17)18)10(12-6-11-9)14-15(3)4/h6-7H,5H2,1-4H3,(H2,11,12,13,14).
What are the key properties of N-butan-2-yl-6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-amine?
N-butan-2-yl-6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-amine has a molecular weight of 254.29 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 22528185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).