N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-1-ethyl-2-methylimidazole-4-sulfonamide

C13H20N6O2S — CID 122354460

IUPACN-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCc2ccnc(N(C)C)n2)nc1C
InChIInChI=1S/C13H20N6O2S/c1-5-19-9-12(16-10(19)2)22(20,21)15-8-11-6-7-14-13(17-11)18(3)4/h6-7,9,15H,5,8H2,1-4H3
InChIKeyQXLYHRRSOZBYAW-UHFFFAOYSA-N
MW324.41 g/mol
LogP0.55
Rot. Bonds6

About N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-1-ethyl-2-methylimidazole-4-sulfonamide

N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-1-ethyl-2-methylimidazole-4-sulfonamide (PubChem CID 122354460) has the molecular formula C13H20N6O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-1-ethyl-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-1-ethyl-2-methylimidazole-4-sulfonamide
PubChem CID122354460
Molecular FormulaC13H20N6O2S
Molecular Weight324.41 g/mol
Exact Mass324.14
IUPAC NameN-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCc2ccnc(N(C)C)n2)nc1C
InChIInChI=1S/C13H20N6O2S/c1-5-19-9-12(16-10(19)2)22(20,21)15-8-11-6-7-14-13(17-11)18(3)4/h6-7,9,15H,5,8H2,1-4H3
InChIKeyQXLYHRRSOZBYAW-UHFFFAOYSA-N
XLogP0.55
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylimidazole-4-sulfonamide
CID 107232092
2-(dimethylamino)-4-[(dimethylsulfamoylamino)methyl]pyrimidine
CID 122354229
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-fluorobenzenesulfonamide
CID 91967734
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 91967754
1-ethyl-2-methyl-N-[2-(methylamino)ethyl]imidazole-4-sulfonamide
CID 62657789
1-ethyl-N-[(2S)-2-hydroxypropyl]-2-methylimidazole-4-sulfonamide
CID 83030926
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide
CID 122354453
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 122354462
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 91967753
1-ethyl-N-(2-ethyl-2-hydroxybutyl)-2-methylimidazole-4-sulfonamide
CID 65112739
1-ethyl-2-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide
CID 121177976
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2,5-diethoxybenzenesulfonamide
CID 91967743

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-1-ethyl-2-methylimidazole-4-sulfonamide?
The IUPAC name of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-1-ethyl-2-methylimidazole-4-sulfonamide (CID 122354460) is N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-1-ethyl-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-1-ethyl-2-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-1-ethyl-2-methylimidazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCc2ccnc(N(C)C)n2)nc1C.
What is the InChIKey of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-1-ethyl-2-methylimidazole-4-sulfonamide?
The InChIKey is QXLYHRRSOZBYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2S/c1-5-19-9-12(16-10(19)2)22(20,21)15-8-11-6-7-14-13(17-11)18(3)4/h6-7,9,15H,5,8H2,1-4H3.
What are the key properties of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-1-ethyl-2-methylimidazole-4-sulfonamide?
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-1-ethyl-2-methylimidazole-4-sulfonamide has a molecular weight of 324.41 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-1-ethyl-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 122354460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).