2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide

C10H18BrN5O2S — CID 106343306

IUPAC2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide
SMILESCCNc1ncnc(NCCS(=O)(=O)NCC)c1Br
InChIInChI=1S/C10H18BrN5O2S/c1-3-12-9-8(11)10(15-7-14-9)13-5-6-19(17,18)16-4-2/h7,16H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyYAJXNGKISLRNFE-UHFFFAOYSA-N
MW352.26 g/mol
LogP1.02
Rot. Bonds8

About 2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide

2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide (PubChem CID 106343306) has the molecular formula C10H18BrN5O2S and a molecular weight of 352.26 g/mol. Its IUPAC name is 2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide.

Molecular Properties

Compound Name2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide
PubChem CID106343306
Molecular FormulaC10H18BrN5O2S
Molecular Weight352.26 g/mol
Exact Mass351.04
IUPAC Name2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide
SMILESCCNc1ncnc(NCCS(=O)(=O)NCC)c1Br
InChIInChI=1S/C10H18BrN5O2S/c1-3-12-9-8(11)10(15-7-14-9)13-5-6-19(17,18)16-4-2/h7,16H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyYAJXNGKISLRNFE-UHFFFAOYSA-N
XLogP1.02
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-2-N-(1,1-dioxothiolan-3-yl)-4-N-methylpyrimidine-2,4-diamine
CID 86802893
5-bromo-4-N-methyl-2-N-(2-methylsulfonylethyl)pyrimidine-2,4-diamine
CID 91650182
N-[3-[[4-(2,2-difluoroethylamino)-5-fluoropyrimidin-2-yl]amino]propyl]ethanesulfonamide
CID 132312827
2-[[5-Fluoro-2-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide
CID 80787601
2-[[5-Fluoro-2-(propylamino)pyrimidin-4-yl]amino]ethanesulfonamide
CID 80787723
2-[[2-(Ethylamino)-5-fluoropyrimidin-4-yl]amino]ethanesulfonamide
CID 80788133
3-[[2-(Ethylamino)-5-fluoropyrimidin-4-yl]amino]propane-1-sulfonamide
CID 80818913
3-[[5-Fluoro-2-(methylamino)pyrimidin-4-yl]amino]propane-1-sulfonamide
CID 80819246
3-[[5-Fluoro-2-(propylamino)pyrimidin-4-yl]amino]propane-1-sulfonamide
CID 80819247
N-ethyl-2-[(6-fluoropyrimidin-4-yl)amino]ethanesulfonamide
CID 106341567
2-[(6-fluoropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106341634
2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
CID 106343245

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide?
The IUPAC name of 2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide (CID 106343306) is 2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide.
What is the SMILES notation for 2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide?
The canonical SMILES for 2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide is CCNc1ncnc(NCCS(=O)(=O)NCC)c1Br.
What is the InChIKey of 2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide?
The InChIKey is YAJXNGKISLRNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN5O2S/c1-3-12-9-8(11)10(15-7-14-9)13-5-6-19(17,18)16-4-2/h7,16H,3-6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide?
2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide has a molecular weight of 352.26 g/mol, XLogP of 1.02, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide is sourced from PubChem (CID 106343306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).