2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide

C11H20N6O2S — CID 106341124

IUPAC2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C11H20N6O2S/c1-2-14-20(18,19)6-5-13-9-7-10(17-12)16-11(15-9)8-3-4-8/h7-8,14H,2-6,12H2,1H3,(H2,13,15,16,17)
InChIKeyYIGWJANKBIVIOJ-UHFFFAOYSA-N
MW300.39 g/mol
LogP-0.01
Rot. Bonds8

About 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide

2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide (PubChem CID 106341124) has the molecular formula C11H20N6O2S and a molecular weight of 300.39 g/mol. Its IUPAC name is 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide.

Molecular Properties

Compound Name2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
PubChem CID106341124
Molecular FormulaC11H20N6O2S
Molecular Weight300.39 g/mol
Exact Mass300.14
IUPAC Name2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C11H20N6O2S/c1-2-14-20(18,19)6-5-13-9-7-10(17-12)16-11(15-9)8-3-4-8/h7-8,14H,2-6,12H2,1H3,(H2,13,15,16,17)
InChIKeyYIGWJANKBIVIOJ-UHFFFAOYSA-N
XLogP-0.01
TPSA122.03 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 5-0.01
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-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
CID 106343137
N-ethyl-2-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide
CID 106341116
2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 106341084
2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
CID 106343157
2-cyclopropyl-6-hydrazinyl-N-pentylpyrimidin-4-amine
CID 80968524
2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 114176051
2-cyclopropyl-6-hydrazinyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 80969047
2-cyclopropyl-6-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine
CID 80969115
2-cyclopropyl-6-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80967531
N-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 80968725
methyl 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]propanoate
CID 80964074
6-chloro-2-cyclopropyl-N-(2-ethylsulfonylethyl)pyrimidin-4-amine
CID 103880067

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide?
The IUPAC name of 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide (CID 106341124) is 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide.
What is the SMILES notation for 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide?
The canonical SMILES for 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide is CCNS(=O)(=O)CCNc1cc(NN)nc(C2CC2)n1.
What is the InChIKey of 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide?
The InChIKey is YIGWJANKBIVIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O2S/c1-2-14-20(18,19)6-5-13-9-7-10(17-12)16-11(15-9)8-3-4-8/h7-8,14H,2-6,12H2,1H3,(H2,13,15,16,17).
What are the key properties of 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide?
2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide has a molecular weight of 300.39 g/mol, XLogP of -0.01, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide is sourced from PubChem (CID 106341124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).