2-hydrazinyl-N,6-dimethyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine

C9H17N5O2S — CID 80928821

IUPAC2-hydrazinyl-N,6-dimethyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
SMILESCc1cc(N(C)CCS(C)(=O)=O)nc(NN)n1
InChIInChI=1S/C9H17N5O2S/c1-7-6-8(12-9(11-7)13-10)14(2)4-5-17(3,15)16/h6H,4-5,10H2,1-3H3,(H,11,12,13)
InChIKeyMNYKTMBLAWBNMM-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.45
Rot. Bonds5

About 2-hydrazinyl-N,6-dimethyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine

2-hydrazinyl-N,6-dimethyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine (PubChem CID 80928821) has the molecular formula C9H17N5O2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-hydrazinyl-N,6-dimethyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N,6-dimethyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
PubChem CID80928821
Molecular FormulaC9H17N5O2S
Molecular Weight259.33 g/mol
Exact Mass259.11
IUPAC Name2-hydrazinyl-N,6-dimethyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
SMILESCc1cc(N(C)CCS(C)(=O)=O)nc(NN)n1
InChIInChI=1S/C9H17N5O2S/c1-7-6-8(12-9(11-7)13-10)14(2)4-5-17(3,15)16/h6H,4-5,10H2,1-3H3,(H,11,12,13)
InChIKeyMNYKTMBLAWBNMM-UHFFFAOYSA-N
XLogP-0.45
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(2-hydrazinyl-6-methylpyrimidin-4-yl)-methylamino]propanenitrile
CID 80916985
2-hydrazinyl-N-(2-methoxyethyl)-N,6-dimethylpyrimidin-4-amine
CID 80896244
N-(2,2-dimethylpropyl)-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine
CID 80903777
N'-hydroxy-2-methyl-6-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboximidamide
CID 137013614
2-hydrazinyl-N,6-dimethyl-N-(2-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103334584
2-hydrazinyl-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
CID 80898571
N-benzyl-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine
CID 80918150
2-hydrazinyl-N,6-dimethyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 80906970
N-(cyclopentylmethyl)-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine
CID 80910183
N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine
CID 80896376
2-tert-butyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80960082
2-hydrazinyl-6-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrimidin-4-amine
CID 80904244

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N,6-dimethyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-N,6-dimethyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine (CID 80928821) is 2-hydrazinyl-N,6-dimethyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N,6-dimethyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-N,6-dimethyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine is Cc1cc(N(C)CCS(C)(=O)=O)nc(NN)n1.
What is the InChIKey of 2-hydrazinyl-N,6-dimethyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine?
The InChIKey is MNYKTMBLAWBNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2S/c1-7-6-8(12-9(11-7)13-10)14(2)4-5-17(3,15)16/h6H,4-5,10H2,1-3H3,(H,11,12,13).
What are the key properties of 2-hydrazinyl-N,6-dimethyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine?
2-hydrazinyl-N,6-dimethyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine has a molecular weight of 259.33 g/mol, XLogP of -0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N,6-dimethyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine is sourced from PubChem (CID 80928821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).