2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide

C12H23N5O2S — CID 106343345

IUPAC2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1cc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C12H23N5O2S/c1-5-15-20(18,19)7-6-14-10-8-9(13)16-11(17-10)12(2,3)4/h8,15H,5-7H2,1-4H3,(H3,13,14,16,17)
InChIKeyWEHBKCYWRMCICA-UHFFFAOYSA-N
MW301.42 g/mol
LogP0.71
Rot. Bonds6

About 2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide

2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide (PubChem CID 106343345) has the molecular formula C12H23N5O2S and a molecular weight of 301.42 g/mol. Its IUPAC name is 2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide.

Molecular Properties

Compound Name2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
PubChem CID106343345
Molecular FormulaC12H23N5O2S
Molecular Weight301.42 g/mol
Exact Mass301.16
IUPAC Name2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1cc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C12H23N5O2S/c1-5-15-20(18,19)7-6-14-10-8-9(13)16-11(17-10)12(2,3)4/h8,15H,5-7H2,1-4H3,(H3,13,14,16,17)
InChIKeyWEHBKCYWRMCICA-UHFFFAOYSA-N
XLogP0.71
TPSA110.00 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 ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80967068
2-tert-butyl-4-N-propylpyrimidine-4,6-diamine
CID 80957078
N-ethyl-2-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide
CID 106341116
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
CID 106343155
2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N-ethylethanesulfonamide
CID 106334265
2-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 106343133
2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80934040
N-[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 106770814
N-ethyl-2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]ethanesulfonamide
CID 106343405
2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 106341124
2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]acetamide
CID 80956992
N-ethyl-2-[[6-(ethylamino)-4-nitro-2-pyridinyl]amino]ethanesulfonamide
CID 106343389

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide?
The IUPAC name of 2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide (CID 106343345) is 2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide.
What is the SMILES notation for 2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide?
The canonical SMILES for 2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide is CCNS(=O)(=O)CCNc1cc(N)nc(C(C)(C)C)n1.
What is the InChIKey of 2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide?
The InChIKey is WEHBKCYWRMCICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2S/c1-5-15-20(18,19)7-6-14-10-8-9(13)16-11(17-10)12(2,3)4/h8,15H,5-7H2,1-4H3,(H3,13,14,16,17).
What are the key properties of 2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide?
2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide has a molecular weight of 301.42 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide is sourced from PubChem (CID 106343345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).