6-hydrazinyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-nitropyrimidin-4-amine

C10H18N6O2S — CID 112668063

IUPAC6-hydrazinyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-nitropyrimidin-4-amine
SMILESCCC(CSC)N(C)c1ncnc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C10H18N6O2S/c1-4-7(5-19-3)15(2)10-8(16(17)18)9(14-11)12-6-13-10/h6-7H,4-5,11H2,1-3H3,(H,12,13,14)
InChIKeyINRXKTDBZAXHAN-UHFFFAOYSA-N
MW286.36 g/mol
LogP1.25
Rot. Bonds7

About 6-hydrazinyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-nitropyrimidin-4-amine

6-hydrazinyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-nitropyrimidin-4-amine (PubChem CID 112668063) has the molecular formula C10H18N6O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 6-hydrazinyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-nitropyrimidin-4-amine
PubChem CID112668063
Molecular FormulaC10H18N6O2S
Molecular Weight286.36 g/mol
Exact Mass286.12
IUPAC Name6-hydrazinyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-nitropyrimidin-4-amine
SMILESCCC(CSC)N(C)c1ncnc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C10H18N6O2S/c1-4-7(5-19-3)15(2)10-8(16(17)18)9(14-11)12-6-13-10/h6-7H,4-5,11H2,1-3H3,(H,12,13,14)
InChIKeyINRXKTDBZAXHAN-UHFFFAOYSA-N
XLogP1.25
TPSA110.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 51.25
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-(1-methoxypropan-2-yl)-N-methyl-5-nitropyrimidin-4-amine
CID 80896203
2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 80905174
6-hydrazinyl-N,N-bis(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 23493001
2-N-ethyl-2-N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 103192603
N-cyclopropyl-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine
CID 80944111
6-chloro-N-methyl-5-nitro-N-pentan-3-ylpyrimidin-4-amine
CID 62100691
4-N,6-N-dimethyl-4-N-(4-methylsulfanylbutan-2-yl)-5-nitropyrimidine-4,6-diamine
CID 115744805
2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]ethanol
CID 80943199
N-ethyl-6-hydrazinyl-5-nitro-N-propylpyrimidin-4-amine
CID 80943828
6-hydrazinyl-N,5-dimethyl-N-pentan-3-ylpyrimidin-4-amine
CID 80905747
N-(cyclopropylmethyl)-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine
CID 80899454

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-nitropyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-nitropyrimidin-4-amine (CID 112668063) is 6-hydrazinyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-nitropyrimidin-4-amine is CCC(CSC)N(C)c1ncnc(NN)c1[N+](=O)[O-].
What is the InChIKey of 6-hydrazinyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-nitropyrimidin-4-amine?
The InChIKey is INRXKTDBZAXHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O2S/c1-4-7(5-19-3)15(2)10-8(16(17)18)9(14-11)12-6-13-10/h6-7H,4-5,11H2,1-3H3,(H,12,13,14).
What are the key properties of 6-hydrazinyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-nitropyrimidin-4-amine?
6-hydrazinyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-nitropyrimidin-4-amine has a molecular weight of 286.36 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 112668063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).