6-hydrazinyl-2-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine

C9H17N5O2S2 — CID 80915241

IUPAC6-hydrazinyl-2-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine
SMILESCSc1nc(NN)cc(NC(C)CS(C)(=O)=O)n1
InChIInChI=1S/C9H17N5O2S2/c1-6(5-18(3,15)16)11-7-4-8(14-10)13-9(12-7)17-2/h4,6H,5,10H2,1-3H3,(H2,11,12,13,14)
InChIKeyHEMZVGRPOKHQNF-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.33
Rot. Bonds6

About 6-hydrazinyl-2-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine

6-hydrazinyl-2-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine (PubChem CID 80915241) has the molecular formula C9H17N5O2S2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 6-hydrazinyl-2-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-2-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine
PubChem CID80915241
Molecular FormulaC9H17N5O2S2
Molecular Weight291.40 g/mol
Exact Mass291.08
IUPAC Name6-hydrazinyl-2-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine
SMILESCSc1nc(NN)cc(NC(C)CS(C)(=O)=O)n1
InChIInChI=1S/C9H17N5O2S2/c1-6(5-18(3,15)16)11-7-4-8(14-10)13-9(12-7)17-2/h4,6H,5,10H2,1-3H3,(H2,11,12,13,14)
InChIKeyHEMZVGRPOKHQNF-UHFFFAOYSA-N
XLogP0.33
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

2-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]propan-1-ol
CID 80907395
6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-2,4,6-triamine
CID 80844221
6-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-methylsulfanylpyrimidin-4-amine
CID 80897715
2-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N-propylpropanamide
CID 80896872
N-(2,3-dimethylbutyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80918315
1-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]propan-2-ol
CID 80907263
6-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)-2-methylsulfanylpyrimidin-4-amine
CID 102909009
2-tert-butyl-6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-4,6-diamine
CID 80959559
6-hydrazinyl-2-methylsulfanyl-N-(4-methylsulfonylphenyl)pyrimidin-4-amine
CID 80913186
5-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)pyridin-2-amine
CID 115921453
4-N-(6-methylheptan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80801282
2-methylsulfanyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80766259

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-2-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-2-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine (CID 80915241) is 6-hydrazinyl-2-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-2-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-2-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine is CSc1nc(NN)cc(NC(C)CS(C)(=O)=O)n1.
What is the InChIKey of 6-hydrazinyl-2-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine?
The InChIKey is HEMZVGRPOKHQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2S2/c1-6(5-18(3,15)16)11-7-4-8(14-10)13-9(12-7)17-2/h4,6H,5,10H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 6-hydrazinyl-2-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine?
6-hydrazinyl-2-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine has a molecular weight of 291.40 g/mol, XLogP of 0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-2-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 80915241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).