2-[(6-ethylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide

C10H18N4O2S — CID 72916903

IUPAC2-[(6-ethylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
SMILESCCc1cc(NCCS(=O)(=O)N(C)C)ncn1
InChIInChI=1S/C10H18N4O2S/c1-4-9-7-10(13-8-12-9)11-5-6-17(15,16)14(2)3/h7-8H,4-6H2,1-3H3,(H,11,12,13)
InChIKeyOACNVVFIWFTOEO-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.34
Rot. Bonds6

About 2-[(6-ethylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide

2-[(6-ethylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide (PubChem CID 72916903) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-[(6-ethylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-[(6-ethylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
PubChem CID72916903
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name2-[(6-ethylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
SMILESCCc1cc(NCCS(=O)(=O)N(C)C)ncn1
InChIInChI=1S/C10H18N4O2S/c1-4-9-7-10(13-8-12-9)11-5-6-17(15,16)14(2)3/h7-8H,4-6H2,1-3H3,(H,11,12,13)
InChIKeyOACNVVFIWFTOEO-UHFFFAOYSA-N
XLogP0.34
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 50957598
N-(1,1-dioxothian-4-yl)-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine
CID 50957838
N-(1,1-dioxidotetrahydro-3-thienyl)-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine
CID 50964693
N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}butane-1-sulfonamide
CID 71797010
N-cyclopentyl-N'-(6-ethylpyrimidin-4-yl)-N-methylpropane-1,3-diamine
CID 72847596
N-(1,1-dioxidotetrahydro-3-thienyl)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine
CID 72914151
N-[1-[2,6-di(propan-2-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanesulfonamide
CID 75434715
1-[2,6-di(propan-2-yl)pyrimidin-4-yl]-N-methylpyrrolidine-3-sulfonamide
CID 84591969
4-Ethyl-6-(piperazin-1-yl)pyrimidine
CID 21473370
1-(6-Ethylpyrimidin-4-yl)piperidin-4-amine
CID 61235863
N-ethyl-6-methyl-2-(4-(propylsulfonyl)piperazin-1-yl)pyrimidin-4-amine
CID 31481356
N-methyl-N-{2-[(6-methyl-2-propylpyrimidin-4-yl)amino]ethyl}methanesulfonamide
CID 50979637

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-[(6-ethylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide (CID 72916903) is 2-[(6-ethylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-[(6-ethylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-[(6-ethylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide is CCc1cc(NCCS(=O)(=O)N(C)C)ncn1.
What is the InChIKey of 2-[(6-ethylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide?
The InChIKey is OACNVVFIWFTOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-4-9-7-10(13-8-12-9)11-5-6-17(15,16)14(2)3/h7-8H,4-6H2,1-3H3,(H,11,12,13).
What are the key properties of 2-[(6-ethylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide?
2-[(6-ethylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide has a molecular weight of 258.35 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 72916903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).