2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-N,N-dimethylethanesulfonamide

C11H21N5O2S — CID 50980860

IUPAC2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-N,N-dimethylethanesulfonamide
SMILESCc1cnc(NCCS(=O)(=O)N(C)C)nc1N(C)C
InChIInChI=1S/C11H21N5O2S/c1-9-8-13-11(14-10(9)15(2)3)12-6-7-19(17,18)16(4)5/h8H,6-7H2,1-5H3,(H,12,13,14)
InChIKeyYXBRAZABFVGLNK-UHFFFAOYSA-N
MW287.39 g/mol
LogP0.15
Rot. Bonds6

About 2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-N,N-dimethylethanesulfonamide

2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-N,N-dimethylethanesulfonamide (PubChem CID 50980860) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-N,N-dimethylethanesulfonamide
PubChem CID50980860
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC Name2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-N,N-dimethylethanesulfonamide
SMILESCc1cnc(NCCS(=O)(=O)N(C)C)nc1N(C)C
InChIInChI=1S/C11H21N5O2S/c1-9-8-13-11(14-10(9)15(2)3)12-6-7-19(17,18)16(4)5/h8H,6-7H2,1-5H3,(H,12,13,14)
InChIKeyYXBRAZABFVGLNK-UHFFFAOYSA-N
XLogP0.15
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-N,N-dimethylethanesulfonamide (CID 50980860) is 2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-N,N-dimethylethanesulfonamide is Cc1cnc(NCCS(=O)(=O)N(C)C)nc1N(C)C.
What is the InChIKey of 2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-N,N-dimethylethanesulfonamide?
The InChIKey is YXBRAZABFVGLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-9-8-13-11(14-10(9)15(2)3)12-6-7-19(17,18)16(4)5/h8H,6-7H2,1-5H3,(H,12,13,14).
What are the key properties of 2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-N,N-dimethylethanesulfonamide?
2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-N,N-dimethylethanesulfonamide has a molecular weight of 287.39 g/mol, XLogP of 0.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 50980860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).