1-methyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-2-propan-2-ylimidazole-4-sulfonamide

C17H26N6O3S — CID 122319238

IUPAC1-methyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-2-propan-2-ylimidazole-4-sulfonamide
SMILESCc1cc(N2CCOCC2)nc(CNS(=O)(=O)c2cn(C)c(C(C)C)n2)n1
InChIInChI=1S/C17H26N6O3S/c1-12(2)17-21-16(11-22(17)4)27(24,25)18-10-14-19-13(3)9-15(20-14)23-5-7-26-8-6-23/h9,11-12,18H,5-8,10H2,1-4H3
InChIKeyZTRAQFVAODBWMN-UHFFFAOYSA-N
MW394.50 g/mol
LogP0.96
Rot. Bonds6

About 1-methyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-2-propan-2-ylimidazole-4-sulfonamide

1-methyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-2-propan-2-ylimidazole-4-sulfonamide (PubChem CID 122319238) has the molecular formula C17H26N6O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 1-methyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-2-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-2-propan-2-ylimidazole-4-sulfonamide
PubChem CID122319238
Molecular FormulaC17H26N6O3S
Molecular Weight394.50 g/mol
Exact Mass394.18
IUPAC Name1-methyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-2-propan-2-ylimidazole-4-sulfonamide
SMILESCc1cc(N2CCOCC2)nc(CNS(=O)(=O)c2cn(C)c(C(C)C)n2)n1
InChIInChI=1S/C17H26N6O3S/c1-12(2)17-21-16(11-22(17)4)27(24,25)18-10-14-19-13(3)9-15(20-14)23-5-7-26-8-6-23/h9,11-12,18H,5-8,10H2,1-4H3
InChIKeyZTRAQFVAODBWMN-UHFFFAOYSA-N
XLogP0.96
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-methyl-2-propan-2-yl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide
CID 122317619
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
CID 122252856
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide
CID 91966940
4-acetyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122319182
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 122319188
2-(2,6-dioxopiperidin-1-yl)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide
CID 122319174
2,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122319263
1-ethyl-2-methyl-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide
CID 122317998
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
CID 122254411
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-1,2-dimethylimidazole-4-sulfonamide
CID 122253920
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-3-nitrobenzenesulfonamide
CID 122319266
1-methyl-2-propan-2-yl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide
CID 122327759

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-2-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-2-propan-2-ylimidazole-4-sulfonamide (CID 122319238) is 1-methyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-2-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-2-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-2-propan-2-ylimidazole-4-sulfonamide is Cc1cc(N2CCOCC2)nc(CNS(=O)(=O)c2cn(C)c(C(C)C)n2)n1.
What is the InChIKey of 1-methyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-2-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is ZTRAQFVAODBWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O3S/c1-12(2)17-21-16(11-22(17)4)27(24,25)18-10-14-19-13(3)9-15(20-14)23-5-7-26-8-6-23/h9,11-12,18H,5-8,10H2,1-4H3.
What are the key properties of 1-methyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-2-propan-2-ylimidazole-4-sulfonamide?
1-methyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-2-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 394.50 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-2-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 122319238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).