2-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N-propylpropanamide

C11H20N6OS — CID 80896872

IUPAC2-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1cc(NN)nc(SC)n1
InChIInChI=1S/C11H20N6OS/c1-4-5-13-10(18)7(2)14-8-6-9(17-12)16-11(15-8)19-3/h6-7H,4-5,12H2,1-3H3,(H,13,18)(H2,14,15,16,17)
InChIKeyTYUPPRZPIOMJCL-UHFFFAOYSA-N
MW284.39 g/mol
LogP0.81
Rot. Bonds7

About 2-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N-propylpropanamide

2-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N-propylpropanamide (PubChem CID 80896872) has the molecular formula C11H20N6OS and a molecular weight of 284.39 g/mol. Its IUPAC name is 2-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N-propylpropanamide
PubChem CID80896872
Molecular FormulaC11H20N6OS
Molecular Weight284.39 g/mol
Exact Mass284.14
IUPAC Name2-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1cc(NN)nc(SC)n1
InChIInChI=1S/C11H20N6OS/c1-4-5-13-10(18)7(2)14-8-6-9(17-12)16-11(15-8)19-3/h6-7H,4-5,12H2,1-3H3,(H,13,18)(H2,14,15,16,17)
InChIKeyTYUPPRZPIOMJCL-UHFFFAOYSA-N
XLogP0.81
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 50.81
H-Bond Donors ≤ 54
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

2-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-N-propylpropanamide
CID 80897487
2-[(6-hydrazinylpyrazin-2-yl)amino]-N-propylpropanamide
CID 80897636
2-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]propan-1-ol
CID 80907395
methyl 2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate
CID 80801920
6-hydrazinyl-2-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine
CID 80915241
1-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]propan-2-ol
CID 80907263
ethyl 2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate
CID 80964798
methyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate
CID 80947630
ethyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate
CID 80947723
6-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-methylsulfanylpyrimidin-4-amine
CID 80897715
2-(4-methylsulfanylanilino)-N-propylpropanamide
CID 43088199
2-(2-methylsulfanylanilino)-N-propylpropanamide
CID 113219250

Frequently Asked Questions

What is the IUPAC name of 2-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N-propylpropanamide?
The IUPAC name of 2-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N-propylpropanamide (CID 80896872) is 2-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N-propylpropanamide is CCCNC(=O)C(C)Nc1cc(NN)nc(SC)n1.
What is the InChIKey of 2-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N-propylpropanamide?
The InChIKey is TYUPPRZPIOMJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6OS/c1-4-5-13-10(18)7(2)14-8-6-9(17-12)16-11(15-8)19-3/h6-7H,4-5,12H2,1-3H3,(H,13,18)(H2,14,15,16,17).
What are the key properties of 2-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N-propylpropanamide?
2-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N-propylpropanamide has a molecular weight of 284.39 g/mol, XLogP of 0.81, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 80896872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).