2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide

C12H23N5O2S — CID 106343155

IUPAC2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
SMILESCNc1cc(NCCS(=O)(=O)NC)nc(C(C)(C)C)n1
InChIInChI=1S/C12H23N5O2S/c1-12(2,3)11-16-9(13-4)8-10(17-11)15-6-7-20(18,19)14-5/h8,14H,6-7H2,1-5H3,(H2,13,15,16,17)
InChIKeyAXUFYZWRZVMCPC-UHFFFAOYSA-N
MW301.42 g/mol
LogP0.78
Rot. Bonds6

About 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide

2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide (PubChem CID 106343155) has the molecular formula C12H23N5O2S and a molecular weight of 301.42 g/mol. Its IUPAC name is 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
PubChem CID106343155
Molecular FormulaC12H23N5O2S
Molecular Weight301.42 g/mol
Exact Mass301.16
IUPAC Name2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
SMILESCNc1cc(NCCS(=O)(=O)NC)nc(C(C)(C)C)n1
InChIInChI=1S/C12H23N5O2S/c1-12(2,3)11-16-9(13-4)8-10(17-11)15-6-7-20(18,19)14-5/h8,14H,6-7H2,1-5H3,(H2,13,15,16,17)
InChIKeyAXUFYZWRZVMCPC-UHFFFAOYSA-N
XLogP0.78
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide
CID 106343111
N-methyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide
CID 106343096
N-methyl-2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide
CID 106343260
N-[2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 80967857
2-tert-butyl-6-N-methyl-4-N-(2-methylsulfinylethyl)pyrimidine-4,6-diamine
CID 113480692
2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 106343345
2-tert-butyl-4-N-(2-ethoxyethyl)-6-N-methylpyrimidine-4,6-diamine
CID 80966986
5-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide
CID 106241594
3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 80957506
2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 106341549
2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80967068
N-ethyl-2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]ethanesulfonamide
CID 106343405

Frequently Asked Questions

What is the IUPAC name of 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide?
The IUPAC name of 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide (CID 106343155) is 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide is CNc1cc(NCCS(=O)(=O)NC)nc(C(C)(C)C)n1.
What is the InChIKey of 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide?
The InChIKey is AXUFYZWRZVMCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2S/c1-12(2,3)11-16-9(13-4)8-10(17-11)15-6-7-20(18,19)14-5/h8,14H,6-7H2,1-5H3,(H2,13,15,16,17).
What are the key properties of 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide?
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide has a molecular weight of 301.42 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide is sourced from PubChem (CID 106343155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).