N-methyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide

C8H15N5O2S — CID 106343096

IUPACN-methyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide
SMILESCNc1cc(NCCS(=O)(=O)NC)ncn1
InChIInChI=1S/C8H15N5O2S/c1-9-7-5-8(13-6-12-7)11-3-4-16(14,15)10-2/h5-6,10H,3-4H2,1-2H3,(H2,9,11,12,13)
InChIKeyZURRQNXRKNGBAR-UHFFFAOYSA-N
MW245.31 g/mol
LogP-0.52
Rot. Bonds6

About N-methyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide

N-methyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide (PubChem CID 106343096) has the molecular formula C8H15N5O2S and a molecular weight of 245.31 g/mol. Its IUPAC name is N-methyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide
PubChem CID106343096
Molecular FormulaC8H15N5O2S
Molecular Weight245.31 g/mol
Exact Mass245.09
IUPAC NameN-methyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide
SMILESCNc1cc(NCCS(=O)(=O)NC)ncn1
InChIInChI=1S/C8H15N5O2S/c1-9-7-5-8(13-6-12-7)11-3-4-16(14,15)10-2/h5-6,10H,3-4H2,1-2H3,(H2,9,11,12,13)
InChIKeyZURRQNXRKNGBAR-UHFFFAOYSA-N
XLogP-0.52
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide
CID 114176091
N-methyl-2-[(6-propoxypyrimidin-4-yl)amino]ethanesulfonamide
CID 106337569
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
CID 106343155
N-methyl-2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide
CID 106343111
4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80790691
N-methyl-2-(pyrazin-2-ylamino)ethanesulfonamide
CID 106337907
N-methyl-2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide
CID 106343260
5-chloro-2-[2-(methylsulfamoyl)ethylamino]pyridine-4-carboxylic acid
CID 114175613
2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
CID 106343137
2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
CID 106343157
2-[(6-hydrazinylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106341141
2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 106341549

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide?
The IUPAC name of N-methyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide (CID 106343096) is N-methyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide.
What is the SMILES notation for N-methyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide?
The canonical SMILES for N-methyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide is CNc1cc(NCCS(=O)(=O)NC)ncn1.
What is the InChIKey of N-methyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide?
The InChIKey is ZURRQNXRKNGBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2S/c1-9-7-5-8(13-6-12-7)11-3-4-16(14,15)10-2/h5-6,10H,3-4H2,1-2H3,(H2,9,11,12,13).
What are the key properties of N-methyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide?
N-methyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide has a molecular weight of 245.31 g/mol, XLogP of -0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide is sourced from PubChem (CID 106343096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).