N-ethyl-2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]ethanesulfonamide

C10H18N4O3S — CID 106337998

IUPACN-ethyl-2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1ncnc(OC)c1C
InChIInChI=1S/C10H18N4O3S/c1-4-14-18(15,16)6-5-11-9-8(2)10(17-3)13-7-12-9/h7,14H,4-6H2,1-3H3,(H,11,12,13)
InChIKeyFNTYMXDUSIGFDP-UHFFFAOYSA-N
MW274.35 g/mol
LogP0.14
Rot. Bonds7

About N-ethyl-2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]ethanesulfonamide

N-ethyl-2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]ethanesulfonamide (PubChem CID 106337998) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-ethyl-2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]ethanesulfonamide
PubChem CID106337998
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC NameN-ethyl-2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1ncnc(OC)c1C
InChIInChI=1S/C10H18N4O3S/c1-4-14-18(15,16)6-5-11-9-8(2)10(17-3)13-7-12-9/h7,14H,4-6H2,1-3H3,(H,11,12,13)
InChIKeyFNTYMXDUSIGFDP-UHFFFAOYSA-N
XLogP0.14
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
CID 66325409
N-ethyl-2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide
CID 114176076
N-ethyl-2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]ethanesulfonamide
CID 106343448
6-methoxy-5-methyl-N-propylpyrimidin-4-amine
CID 66326211
2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide
CID 106343306
N-hexyl-6-methoxy-5-methylpyrimidin-4-amine
CID 66325235
N-ethyl-N-[3-[(6-methoxy-5-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 66325411
N-(6-methoxy-5-methylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 66327244
2-[(6-chloro-5-formylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 114175883
6-methoxy-5-methyl-N-(3-propoxypropyl)pyrimidin-4-amine
CID 82943748
6-methoxy-5-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 66327861
2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N-ethylethanesulfonamide
CID 106334265

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]ethanesulfonamide?
The IUPAC name of N-ethyl-2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]ethanesulfonamide (CID 106337998) is N-ethyl-2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]ethanesulfonamide?
The canonical SMILES for N-ethyl-2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]ethanesulfonamide is CCNS(=O)(=O)CCNc1ncnc(OC)c1C.
What is the InChIKey of N-ethyl-2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]ethanesulfonamide?
The InChIKey is FNTYMXDUSIGFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-4-14-18(15,16)6-5-11-9-8(2)10(17-3)13-7-12-9/h7,14H,4-6H2,1-3H3,(H,11,12,13).
What are the key properties of N-ethyl-2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]ethanesulfonamide?
N-ethyl-2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]ethanesulfonamide has a molecular weight of 274.35 g/mol, XLogP of 0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]ethanesulfonamide is sourced from PubChem (CID 106337998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).