2-[(2-ethyl-6-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide

C10H18N4O2S — CID 114276539

IUPAC2-[(2-ethyl-6-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
SMILESCCc1nc(C)cc(NCCS(=O)(=O)NC)n1
InChIInChI=1S/C10H18N4O2S/c1-4-9-13-8(2)7-10(14-9)12-5-6-17(15,16)11-3/h7,11H,4-6H2,1-3H3,(H,12,13,14)
InChIKeySTCNZGANVSASKD-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.31
Rot. Bonds6

About 2-[(2-ethyl-6-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide

2-[(2-ethyl-6-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide (PubChem CID 114276539) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-[(2-ethyl-6-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[(2-ethyl-6-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
PubChem CID114276539
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name2-[(2-ethyl-6-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
SMILESCCc1nc(C)cc(NCCS(=O)(=O)NC)n1
InChIInChI=1S/C10H18N4O2S/c1-4-9-13-8(2)7-10(14-9)12-5-6-17(15,16)11-3/h7,11H,4-6H2,1-3H3,(H,12,13,14)
InChIKeySTCNZGANVSASKD-UHFFFAOYSA-N
XLogP0.31
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2-ethyl-6-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 106341549
2-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 106343133
2-ethyl-N,6-dimethylpyrimidin-4-amine
CID 62192654
2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80934040
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
CID 106343155
N-ethyl-2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]ethanesulfonamide
CID 106343405
2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
CID 106343157
2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
CID 106343137
2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80936600
N-methyl-2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide
CID 106343260
N-methyl-2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide
CID 106343111
N-(2-chloropropyl)-2-ethyl-6-methylpyrimidin-4-amine
CID 130512726

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-6-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide?
The IUPAC name of 2-[(2-ethyl-6-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide (CID 114276539) is 2-[(2-ethyl-6-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[(2-ethyl-6-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[(2-ethyl-6-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide is CCc1nc(C)cc(NCCS(=O)(=O)NC)n1.
What is the InChIKey of 2-[(2-ethyl-6-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide?
The InChIKey is STCNZGANVSASKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-4-9-13-8(2)7-10(14-9)12-5-6-17(15,16)11-3/h7,11H,4-6H2,1-3H3,(H,12,13,14).
What are the key properties of 2-[(2-ethyl-6-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide?
2-[(2-ethyl-6-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide has a molecular weight of 258.35 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-6-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide is sourced from PubChem (CID 114276539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).