2-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide

C12H21ClN4O2S — CID 106341655

IUPAC2-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNc1cc(Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C12H21ClN4O2S/c1-12(2,3)11-15-9(13)8-10(16-11)14-6-7-20(18,19)17(4)5/h8H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyCXTPVFBRJLOPOB-UHFFFAOYSA-N
MW320.85 g/mol
LogP1.73
Rot. Bonds5

About 2-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide

2-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide (PubChem CID 106341655) has the molecular formula C12H21ClN4O2S and a molecular weight of 320.85 g/mol. Its IUPAC name is 2-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
PubChem CID106341655
Molecular FormulaC12H21ClN4O2S
Molecular Weight320.85 g/mol
Exact Mass320.11
IUPAC Name2-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNc1cc(Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C12H21ClN4O2S/c1-12(2,3)11-15-9(13)8-10(16-11)14-6-7-20(18,19)17(4)5/h8H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyCXTPVFBRJLOPOB-UHFFFAOYSA-N
XLogP1.73
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide
CID 106341663
2-tert-butyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine
CID 80948792
4-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]butan-1-ol
CID 106842915
N-(2-tert-butyl-6-chloropyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 80949365
2-tert-butyl-6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrimidin-4-amine
CID 83113055
2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide
CID 106343596
2-tert-butyl-6-chloro-N-pent-4-ynylpyrimidin-4-amine
CID 106223105
N,N-dimethyl-2-[[6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide
CID 106343460
N,2-ditert-butyl-6-chloropyrimidin-4-amine
CID 80948203
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
CID 106343155
2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80967068
2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide
CID 106338610

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide (CID 106341655) is 2-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide is CN(C)S(=O)(=O)CCNc1cc(Cl)nc(C(C)(C)C)n1.
What is the InChIKey of 2-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide?
The InChIKey is CXTPVFBRJLOPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4O2S/c1-12(2,3)11-15-9(13)8-10(16-11)14-6-7-20(18,19)17(4)5/h8H,6-7H2,1-5H3,(H,14,15,16).
What are the key properties of 2-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide?
2-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide has a molecular weight of 320.85 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 106341655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).