2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]ethanesulfonamide

C11H21N5O2S — CID 80787854

IUPAC2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]ethanesulfonamide
SMILESCCNc1ncnc(NCCS(N)(=O)=O)c1C(C)C
InChIInChI=1S/C11H21N5O2S/c1-4-13-10-9(8(2)3)11(16-7-15-10)14-5-6-19(12,17)18/h7-8H,4-6H2,1-3H3,(H2,12,17,18)(H2,13,14,15,16)
InChIKeyGKQXTOBVMBSTCX-UHFFFAOYSA-N
MW287.39 g/mol
LogP0.73
Rot. Bonds7

About 2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]ethanesulfonamide

2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]ethanesulfonamide (PubChem CID 80787854) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]ethanesulfonamide
PubChem CID80787854
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC Name2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]ethanesulfonamide
SMILESCCNc1ncnc(NCCS(N)(=O)=O)c1C(C)C
InChIInChI=1S/C11H21N5O2S/c1-4-13-10-9(8(2)3)11(16-7-15-10)14-5-6-19(12,17)18/h7-8H,4-6H2,1-3H3,(H2,12,17,18)(H2,13,14,15,16)
InChIKeyGKQXTOBVMBSTCX-UHFFFAOYSA-N
XLogP0.73
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2-methylsulfonylethyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80790474
2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80906224
3-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol
CID 80771693
4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80769699
4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80770662
2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide
CID 106343306
4-N-[3-(dimethylamino)propyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80777504
6-N-ethyl-4-N-(2-phenylethyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80772452
3-[2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea
CID 83118658
1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol
CID 80779051
methyl 2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanoate
CID 80801917
2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-3-methylbutanamide
CID 106347461

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]ethanesulfonamide?
The IUPAC name of 2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]ethanesulfonamide (CID 80787854) is 2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]ethanesulfonamide.
What is the SMILES notation for 2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]ethanesulfonamide?
The canonical SMILES for 2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]ethanesulfonamide is CCNc1ncnc(NCCS(N)(=O)=O)c1C(C)C.
What is the InChIKey of 2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]ethanesulfonamide?
The InChIKey is GKQXTOBVMBSTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-4-13-10-9(8(2)3)11(16-7-15-10)14-5-6-19(12,17)18/h7-8H,4-6H2,1-3H3,(H2,12,17,18)(H2,13,14,15,16).
What are the key properties of 2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]ethanesulfonamide?
2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]ethanesulfonamide has a molecular weight of 287.39 g/mol, XLogP of 0.73, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]ethanesulfonamide is sourced from PubChem (CID 80787854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).