N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-1-methylimidazole-4-sulfonamide

C11H15N5O3S — CID 122302877

IUPACN-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-1-methylimidazole-4-sulfonamide
SMILESCOc1nc(C)c(NS(=O)(=O)c2cn(C)cn2)c(C)n1
InChIInChI=1S/C11H15N5O3S/c1-7-10(8(2)14-11(13-7)19-4)15-20(17,18)9-5-16(3)6-12-9/h5-6,15H,1-4H3
InChIKeyMQYBEEAZMUTOBJ-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.64
Rot. Bonds4

About N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-1-methylimidazole-4-sulfonamide

N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-1-methylimidazole-4-sulfonamide (PubChem CID 122302877) has the molecular formula C11H15N5O3S and a molecular weight of 297.34 g/mol. Its IUPAC name is N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-1-methylimidazole-4-sulfonamide
PubChem CID122302877
Molecular FormulaC11H15N5O3S
Molecular Weight297.34 g/mol
Exact Mass297.09
IUPAC NameN-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-1-methylimidazole-4-sulfonamide
SMILESCOc1nc(C)c(NS(=O)(=O)c2cn(C)cn2)c(C)n1
InChIInChI=1S/C11H15N5O3S/c1-7-10(8(2)14-11(13-7)19-4)15-20(17,18)9-5-16(3)6-12-9/h5-6,15H,1-4H3
InChIKeyMQYBEEAZMUTOBJ-UHFFFAOYSA-N
XLogP0.64
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-1-methylimidazole-4-sulfonamide
CID 122319559
1-methyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide
CID 62373633
4-methoxy-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzenesulfonamide
CID 122302660
N-(4-bromo-3,5-dimethylphenyl)-1-methylimidazole-4-sulfonamide
CID 103580445
N-(4-fluorophenyl)-1-methylimidazole-4-sulfonamide
CID 46897919
3,5-dimethyl-2-[(1-methylimidazol-4-yl)sulfonylamino]benzoic acid
CID 62780873
N-(4-hydroxy-2,5-dimethylphenyl)-1-methylimidazole-4-sulfonamide
CID 106831921
N-(2-amino-4-bromophenyl)-1-methylimidazole-4-sulfonamide
CID 62374944
N-(2-hydroxy-5-methylphenyl)-1-methylimidazole-4-sulfonamide
CID 55068186
N-(3-hydroxy-4-methylphenyl)-1-methylimidazole-4-sulfonamide
CID 64794060
1-methyl-N-(4-phenylphenyl)imidazole-4-sulfonamide
CID 46897915
N-(4-amino-3-chlorophenyl)-1-methylimidazole-4-sulfonamide
CID 55068329

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-1-methylimidazole-4-sulfonamide (CID 122302877) is N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-1-methylimidazole-4-sulfonamide is COc1nc(C)c(NS(=O)(=O)c2cn(C)cn2)c(C)n1.
What is the InChIKey of N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-1-methylimidazole-4-sulfonamide?
The InChIKey is MQYBEEAZMUTOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3S/c1-7-10(8(2)14-11(13-7)19-4)15-20(17,18)9-5-16(3)6-12-9/h5-6,15H,1-4H3.
What are the key properties of N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-1-methylimidazole-4-sulfonamide?
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-1-methylimidazole-4-sulfonamide has a molecular weight of 297.34 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 122302877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).