N-ethyl-2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide

C10H19N5O2S — CID 114176076

IUPACN-ethyl-2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1ncnc(NC)c1C
InChIInChI=1S/C10H19N5O2S/c1-4-15-18(16,17)6-5-12-10-8(2)9(11-3)13-7-14-10/h7,15H,4-6H2,1-3H3,(H2,11,12,13,14)
InChIKeyYTNVZESSLIRRJY-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.18
Rot. Bonds7

About N-ethyl-2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide

N-ethyl-2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide (PubChem CID 114176076) has the molecular formula C10H19N5O2S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-ethyl-2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide
PubChem CID114176076
Molecular FormulaC10H19N5O2S
Molecular Weight273.36 g/mol
Exact Mass273.13
IUPAC NameN-ethyl-2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1ncnc(NC)c1C
InChIInChI=1S/C10H19N5O2S/c1-4-15-18(16,17)6-5-12-10-8(2)9(11-3)13-7-14-10/h7,15H,4-6H2,1-3H3,(H2,11,12,13,14)
InChIKeyYTNVZESSLIRRJY-UHFFFAOYSA-N
XLogP0.18
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]ethanesulfonamide
CID 106337998
2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide
CID 106343306
N-ethyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]ethanesulfonamide
CID 106343430
N-ethyl-2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]ethanesulfonamide
CID 106343448
2-[(6-chloro-5-formylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 114175883
N-ethyl-2-[(5-methylpyrimidin-2-yl)amino]ethanesulfonamide
CID 103858115
4-N-[2-[ethyl(methyl)amino]ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80833362
6-N,5-dimethyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine
CID 80831901
2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 114175880
4-N-[3-(diethylamino)propyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80777327
2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 106341566
2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 106341084

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide?
The IUPAC name of N-ethyl-2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide (CID 114176076) is N-ethyl-2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide?
The canonical SMILES for N-ethyl-2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide is CCNS(=O)(=O)CCNc1ncnc(NC)c1C.
What is the InChIKey of N-ethyl-2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide?
The InChIKey is YTNVZESSLIRRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2S/c1-4-15-18(16,17)6-5-12-10-8(2)9(11-3)13-7-14-10/h7,15H,4-6H2,1-3H3,(H2,11,12,13,14).
What are the key properties of N-ethyl-2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide?
N-ethyl-2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.18, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide is sourced from PubChem (CID 114176076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).